Benzene and substituted derivatives
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Benzene and substituted derivatives
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Benzyl Alcohol, 99%, Pure, Thermo Scientific Chemicals
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
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PubChem CID | 244 |
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CAS | 100-51-6 |
Molecular Weight (g/mol) | 108.14 |
ChEBI | CHEBI:17987 |
MDL Number | MFCD00004599,MFCD03792087 |
SMILES | OCC1=CC=CC=C1 |
Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
IUPAC Name | phenylmethanol |
InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
Molecular Formula | C7H8O |
Ethyl 4-hydroxybenzoate, 99%, Thermo Scientific Chemicals
CAS: 120-47-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002353 InChI Key: NUVBSKCKDOMJSU-UHFFFAOYSA-N Synonym: ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e PubChem CID: 8434 ChEBI: CHEBI:86616 IUPAC Name: ethyl 4-hydroxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)O
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PubChem CID | 8434 |
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CAS | 120-47-8 |
Molecular Weight (g/mol) | 166.18 |
ChEBI | CHEBI:86616 |
MDL Number | MFCD00002353 |
SMILES | CCOC(=O)C1=CC=C(C=C1)O |
Synonym | ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e |
IUPAC Name | ethyl 4-hydroxybenzoate |
InChI Key | NUVBSKCKDOMJSU-UHFFFAOYSA-N |
Molecular Formula | C9H10O3 |
2-Phenoxyethanol, 99%, Thermo Scientific Chemicals
CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO
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PubChem CID | 31236 |
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CAS | 122-99-6 |
Molecular Weight (g/mol) | 138.17 |
ChEBI | CHEBI:64275 |
MDL Number | MFCD00002857 |
SMILES | C1=CC=C(C=C1)OCCO |
Synonym | phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane |
IUPAC Name | 2-phenoxyethanol |
InChI Key | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
Molecular Formula | C8H10O2 |
4-Aminobenzoic acid, 99%, Thermo Scientific Chemicals
CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O
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PubChem CID | 978 |
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CAS | 150-13-0 |
Molecular Weight (g/mol) | 137.14 |
ChEBI | CHEBI:30753 |
MDL Number | MFCD00007894 |
SMILES | NC1=CC=C(C=C1)C(O)=O |
Synonym | p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino |
IUPAC Name | 4-aminobenzoic acid |
InChI Key | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
Molecular Formula | C7H7NO2 |
Sodium Salicylate, 99%, Thermo Scientific Chemicals
CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
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PubChem CID | 16760658 |
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CAS | 54-21-7 |
Molecular Weight (g/mol) | 160.104 |
ChEBI | CHEBI:9180 |
MDL Number | MFCD00002440 |
SMILES | C1=CC=C(C(=C1)C(=O)[O-])O.[Na+] |
Synonym | sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl |
IUPAC Name | sodium;2-hydroxybenzoate |
InChI Key | ABBQHOQBGMUPJH-UHFFFAOYSA-M |
Molecular Formula | C7H5NaO3 |
Benzyl alcohol, ACS, 99+%, Thermo Scientific Chemicals
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
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PubChem CID | 244 |
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CAS | 100-51-6 |
Molecular Weight (g/mol) | 108.14 |
ChEBI | CHEBI:17987 |
MDL Number | MFCD00004599,MFCD03792087 |
SMILES | OCC1=CC=CC=C1 |
Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
IUPAC Name | phenylmethanol |
InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
Molecular Formula | C7H8O |
3-Chloroperoxybenzoic acid, 70-75%, balance 3-Chlorobenzoic acid and water, Thermo Scientific Chemicals
3-Chloroperoxybenzoic acid, 70-75%, C7H5ClO3, CAS Number-937-14-4, 535-80-8, 7732-18-5
Linear Formula | ClC6H4CO3H |
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Molecular Weight (g/mol) | 172.56 |
ChEBI | CHEBI:52091 |
CAS Min % | 25.0 |
InChI Key | NHQDETIJWKXCTC-UHFFFAOYSA-N |
Density | 0.5600g/mL |
PubChem CID | 70297 |
Name Note | 70 - 75% |
Percent Purity | 70-75% |
Fieser | 01,135; 02,68; 03,49; 04,85; 05,120; 06,110; 07,62; 08,97; 09,108; 10,92; 11,122; 12,118; 13,76; 15,86; 16,80; 17,76 |
RTECS Number | SD9470000 |
Formula Weight | 172.57 |
Melting Point | 92.0°C to 94.0°C |
CAS Max % | 30.0 |
Color | White |
Physical Form | Moist Powder |
SMILES | OOC(=O)C1=CC=CC(Cl)=C1 |
Merck Index | 15,2154 |
Assay Percent Range | di-m-Chlorobenzoyl peroxide: < 0.1% Typical (HPLC) |
CAS | 7732-18-5 |
Health Hazard 3 | GHS P Statement Wear protective gloves/protective clothing/eye protection/face protection. Keep away from heat/sparks/open flames/hot surfaces. - No smoking. Keep/Store away from clothing/ combustible materials. IF SWALLOWED: rin |
MDL Number | MFCD00002127 |
Health Hazard 2 | GHS H Statement Causes severe skin burns and eye damage. Harmful if swallowed. Heating may cause a fire. |
Solubility Information | Solubility in water: insoluble. Other solubilities: soluble in koh, soluble in chloroform and acetone |
Health Hazard 1 | GHS Signal Word: Danger |
Synonym | 3-chloroperoxybenzoic acid,3-chloroperbenzoic acid,mcpba,m-chloroperbenzoic acid,m-chloroperoxybenzoic acid,meta-chloroperoxybenzoic acid,benzenecarboperoxoic acid, 3-chloro,m-chlorobenzoyl hydroperoxide,meta-chloroperbenzoic acid,3-chlorobenzoperoxoic acid |
TSCA | TSCA |
IUPAC Name | 3-chlorobenzenecarboperoxoic acid |
Beilstein | 09,IV,972 |
Molecular Formula | C7H5ClO3 |
EINECS Number | 213-322-3 |
Specific Gravity | 0.56 |
Triphenylphosphine, 99%, Thermo Scientific Chemicals
CAS: 603-35-0 Molecular Formula: C18H15P Molecular Weight (g/mol): 262.29 MDL Number: MFCD00003043 MFCD20489348 InChI Key: RIOQSEWOXXDEQQ-UHFFFAOYSA-N Synonym: triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin PubChem CID: 11776 IUPAC Name: triphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
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PubChem CID | 11776 |
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CAS | 603-35-0 |
Molecular Weight (g/mol) | 262.29 |
MDL Number | MFCD00003043 MFCD20489348 |
SMILES | C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
Synonym | triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin |
IUPAC Name | triphenylphosphane |
InChI Key | RIOQSEWOXXDEQQ-UHFFFAOYSA-N |
Molecular Formula | C18H15P |
p-Anisaldehyde, 99+%, Thermo Scientific Chemicals
CAS: 123-11-5 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Synonym: p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine PubChem CID: 31244 ChEBI: CHEBI:28235 IUPAC Name: 4-methoxybenzaldehyde SMILES: COC1=CC=C(C=C1)C=O
PubChem CID | 31244 |
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CAS | 123-11-5 |
Molecular Weight (g/mol) | 136.15 |
ChEBI | CHEBI:28235 |
MDL Number | MFCD00003385 |
SMILES | COC1=CC=C(C=C1)C=O |
Synonym | p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine |
IUPAC Name | 4-methoxybenzaldehyde |
InChI Key | ZRSNZINYAWTAHE-UHFFFAOYSA-N |
Molecular Formula | C8H8O2 |
p-Toluenesulfonyl chloride, 99+%, Thermo Scientific Chemicals
CAS: 98-59-9 Molecular Formula: C7H7ClO2S Molecular Weight (g/mol): 190.64 MDL Number: MFCD00007450 InChI Key: YYROPELSRYBVMQ-UHFFFAOYSA-N Synonym: tosyl chloride,p-toluenesulfonyl chloride,p-tosyl chloride,4-toluenesulfonyl chloride,p-toluenesulfochloride,4-methylbenzene-1-sulfonyl chloride,p-tolylsulfonyl chloride,p-toluenesulphonyl chloride,tosylchloride,p-toluenesulfonic acid chloride PubChem CID: 7397 IUPAC Name: 4-methylbenzenesulfonyl chloride SMILES: CC1=CC=C(C=C1)S(Cl)(=O)=O
PubChem CID | 7397 |
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CAS | 98-59-9 |
Molecular Weight (g/mol) | 190.64 |
MDL Number | MFCD00007450 |
SMILES | CC1=CC=C(C=C1)S(Cl)(=O)=O |
Synonym | tosyl chloride,p-toluenesulfonyl chloride,p-tosyl chloride,4-toluenesulfonyl chloride,p-toluenesulfochloride,4-methylbenzene-1-sulfonyl chloride,p-tolylsulfonyl chloride,p-toluenesulphonyl chloride,tosylchloride,p-toluenesulfonic acid chloride |
IUPAC Name | 4-methylbenzenesulfonyl chloride |
InChI Key | YYROPELSRYBVMQ-UHFFFAOYSA-N |
Molecular Formula | C7H7ClO2S |
4-Dimethylaminobenzaldehyde, 99+%, Thermo Scientific Chemicals
CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1
PubChem CID | 7479 |
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CAS | 100-10-7 |
Molecular Weight (g/mol) | 149.19 |
MDL Number | MFCD00003381 |
SMILES | CN(C)C1=CC=C(C=O)C=C1 |
Synonym | 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal |
IUPAC Name | 4-(dimethylamino)benzaldehyde |
InChI Key | BGNGWHSBYQYVRX-UHFFFAOYSA-N |
Molecular Formula | C9H11NO |
2,6-Di-tert-butyl-4-methylphenol, 99.8%, Thermo Scientific Chemicals
CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.35 MDL Number: MFCD00011644 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
PubChem CID | 31404 |
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CAS | 128-37-0 |
Molecular Weight (g/mol) | 220.35 |
ChEBI | CHEBI:34247 |
MDL Number | MFCD00011644 |
SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
Synonym | 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht |
IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
InChI Key | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
Molecular Formula | C15H24O |
Benzylamine, 99%, pure, Thermo Scientific Chemicals
CAS: 100-46-9 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.15 MDL Number: MFCD00008106 InChI Key: WGQKYBSKWIADBV-UHFFFAOYSA-N Synonym: benzylamine,benzenemethanamine,monobenzylamine,alpha-aminotoluene,phenylmethyl amine,aminomethyl benzene,1-phenylmethanamine,moringine,n-benzylamine,phenylmethylamine PubChem CID: 7504 ChEBI: CHEBI:40538 IUPAC Name: phenylmethanamine SMILES: C1=CC=C(C=C1)CN
PubChem CID | 7504 |
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CAS | 100-46-9 |
Molecular Weight (g/mol) | 107.15 |
ChEBI | CHEBI:40538 |
MDL Number | MFCD00008106 |
SMILES | C1=CC=C(C=C1)CN |
Synonym | benzylamine,benzenemethanamine,monobenzylamine,alpha-aminotoluene,phenylmethyl amine,aminomethyl benzene,1-phenylmethanamine,moringine,n-benzylamine,phenylmethylamine |
IUPAC Name | phenylmethanamine |
InChI Key | WGQKYBSKWIADBV-UHFFFAOYSA-N |
Molecular Formula | C7H9N |
Styrene, 99%, extra pure, stabilized, Thermo Scientific Chemicals
CAS: 100-42-5 Molecular Formula: C8H8 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00008612,MFCD00084450 InChI Key: PPBRXRYQALVLMV-UHFFFAOYSA-N Synonym: ethenylbenzene,phenylethylene,vinylbenzene,styrol,benzene, ethenyl,cinnamene,phenylethene,monomer,phenethylene,styrolene PubChem CID: 7501 ChEBI: CHEBI:27452 IUPAC Name: styrene SMILES: C=CC1=CC=CC=C1
PubChem CID | 7501 |
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CAS | 100-42-5 |
Molecular Weight (g/mol) | 104.15 |
ChEBI | CHEBI:27452 |
MDL Number | MFCD00008612,MFCD00084450 |
SMILES | C=CC1=CC=CC=C1 |
Synonym | ethenylbenzene,phenylethylene,vinylbenzene,styrol,benzene, ethenyl,cinnamene,phenylethene,monomer,phenethylene,styrolene |
IUPAC Name | styrene |
InChI Key | PPBRXRYQALVLMV-UHFFFAOYSA-N |
Molecular Formula | C8H8 |
Triphenyl phosphite, 99%, Thermo Scientific Chemicals
CAS: 101-02-0 Molecular Formula: C18H15O3P Molecular Weight (g/mol): 310.28 InChI Key: HVLLSGMXQDNUAL-UHFFFAOYSA-N Synonym: phosphorous acid, triphenyl ester,advance tpp,triphenoxyphosphine,phenyl phosphite,stabilizer p 36,trifenoxyfosfin,trifenylfosfit,phosclere t 36,efed,mellite 310 PubChem CID: 7540 IUPAC Name: triphenyl phosphite SMILES: C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3
PubChem CID | 7540 |
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CAS | 101-02-0 |
Molecular Weight (g/mol) | 310.28 |
SMILES | C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3 |
Synonym | phosphorous acid, triphenyl ester,advance tpp,triphenoxyphosphine,phenyl phosphite,stabilizer p 36,trifenoxyfosfin,trifenylfosfit,phosclere t 36,efed,mellite 310 |
IUPAC Name | triphenyl phosphite |
InChI Key | HVLLSGMXQDNUAL-UHFFFAOYSA-N |
Molecular Formula | C18H15O3P |