Benzene and substituted derivatives
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Phenyl chloroformate, 99%
CAS: 1885-14-9 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 MDL Number: MFCD00000637 InChI Key: AHWALFGBDFAJAI-UHFFFAOYSA-N Synonym: phenyl chloroformate,chloroformic acid phenyl ester,phenyl chlorocarbonate,carbonochloridic acid, phenyl ester,phenoxycarbonyl chloride,formic acid, chloro-, phenyl ester,fenylester kyseliny chlormravenci,phenylchloroformate,unii-6tnd0d6d3y,6tnd0d6d3y PubChem CID: 15891 IUPAC Name: phenyl carbonochloridate SMILES: ClC(=O)OC1=CC=CC=C1
| PubChem CID | 15891 |
|---|---|
| CAS | 1885-14-9 |
| Molecular Weight (g/mol) | 156.57 |
| MDL Number | MFCD00000637 |
| SMILES | ClC(=O)OC1=CC=CC=C1 |
| Synonym | phenyl chloroformate,chloroformic acid phenyl ester,phenyl chlorocarbonate,carbonochloridic acid, phenyl ester,phenoxycarbonyl chloride,formic acid, chloro-, phenyl ester,fenylester kyseliny chlormravenci,phenylchloroformate,unii-6tnd0d6d3y,6tnd0d6d3y |
| IUPAC Name | phenyl carbonochloridate |
| InChI Key | AHWALFGBDFAJAI-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
Rosolic acid
CAS: 603-45-2 Molecular Formula: C19H14O3 Molecular Weight (g/mol): 290.32 MDL Number: MFCD00001624 InChI Key: FYEHYMARPSSOBO-UHFFFAOYSA-N Synonym: aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone PubChem CID: 5100 ChEBI: CHEBI:34544 IUPAC Name: 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one SMILES: OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1
| PubChem CID | 5100 |
|---|---|
| CAS | 603-45-2 |
| Molecular Weight (g/mol) | 290.32 |
| ChEBI | CHEBI:34544 |
| MDL Number | MFCD00001624 |
| SMILES | OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1 |
| Synonym | aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone |
| IUPAC Name | 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one |
| InChI Key | FYEHYMARPSSOBO-UHFFFAOYSA-N |
| Molecular Formula | C19H14O3 |
4,4'-Methylenebis(phenyl isocyanate), 98%
CAS: 101-68-8 Molecular Formula: C15H10N2O2 Molecular Weight (g/mol): 250.257 MDL Number: MFCD00036131 InChI Key: UPMLOUAZCHDJJD-UHFFFAOYSA-N Synonym: 4,4'-diphenylmethane diisocyanate,diphenylmethane diisocyanate,isonate,4,4'-diisocyanatodiphenylmethane,p,p'-diphenylmethane diisocyanate,bis 4-isocyanatophenyl methane,4,4'-methylenebis phenyl isocyanate,methylbisphenyl isocyanate,1,1'-methylenebis 4-isocyanatobenzene,methylene diphenyl diisocyanate PubChem CID: 7570 ChEBI: CHEBI:53218 IUPAC Name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O
| PubChem CID | 7570 |
|---|---|
| CAS | 101-68-8 |
| Molecular Weight (g/mol) | 250.257 |
| ChEBI | CHEBI:53218 |
| MDL Number | MFCD00036131 |
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O |
| Synonym | 4,4'-diphenylmethane diisocyanate,diphenylmethane diisocyanate,isonate,4,4'-diisocyanatodiphenylmethane,p,p'-diphenylmethane diisocyanate,bis 4-isocyanatophenyl methane,4,4'-methylenebis phenyl isocyanate,methylbisphenyl isocyanate,1,1'-methylenebis 4-isocyanatobenzene,methylene diphenyl diisocyanate |
| IUPAC Name | 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene |
| InChI Key | UPMLOUAZCHDJJD-UHFFFAOYSA-N |
| Molecular Formula | C15H10N2O2 |
Triphenylphosphine, powder, 99%
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
| PubChem CID | 11776 |
|---|---|
| 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 |
4,4'-Difluorobenzophenone, 98+%
CAS: 345-92-6 Molecular Formula: C13H8F2O Molecular Weight (g/mol): 218.20 MDL Number: MFCD00000353 InChI Key: LSQARZALBDFYQZ-UHFFFAOYSA-N Synonym: 4,4'-difluorobenzophenone,bis 4-fluorophenyl methanone,bis 4-fluorophenyl-methanone,methanone, bis 4-fluorophenyl,p,p'-difluorobenzophenone,di-p-fluorophenyl ketone,bis p-fluorophenyl ketone,bis 4-fluorophenyl ketone,benzophenone, 4,4'-difluoro,unii-88bnc11b9c PubChem CID: 9582 IUPAC Name: bis(4-fluorophenyl)methanone SMILES: FC1=CC=C(C=C1)C(=O)C1=CC=C(F)C=C1
| PubChem CID | 9582 |
|---|---|
| CAS | 345-92-6 |
| Molecular Weight (g/mol) | 218.20 |
| MDL Number | MFCD00000353 |
| SMILES | FC1=CC=C(C=C1)C(=O)C1=CC=C(F)C=C1 |
| Synonym | 4,4'-difluorobenzophenone,bis 4-fluorophenyl methanone,bis 4-fluorophenyl-methanone,methanone, bis 4-fluorophenyl,p,p'-difluorobenzophenone,di-p-fluorophenyl ketone,bis p-fluorophenyl ketone,bis 4-fluorophenyl ketone,benzophenone, 4,4'-difluoro,unii-88bnc11b9c |
| IUPAC Name | bis(4-fluorophenyl)methanone |
| InChI Key | LSQARZALBDFYQZ-UHFFFAOYSA-N |
| Molecular Formula | C13H8F2O |
p-Toluic acid, 98%
CAS: 99-94-5 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002565 InChI Key: LPNBBFKOUUSUDB-UHFFFAOYSA-N Synonym: p-toluic acid,4-toluic acid,crithminic acid,p-methylbenzoic acid,p-toluylic acid,benzoic acid, 4-methyl,p-carboxytoluene,para-toluic acid,4-methyl-benzoic acid,toluenecarboxylic acid PubChem CID: 7470 ChEBI: CHEBI:36635 IUPAC Name: 4-methylbenzoic acid SMILES: CC1=CC=C(C=C1)C(O)=O
| PubChem CID | 7470 |
|---|---|
| CAS | 99-94-5 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:36635 |
| MDL Number | MFCD00002565 |
| SMILES | CC1=CC=C(C=C1)C(O)=O |
| Synonym | p-toluic acid,4-toluic acid,crithminic acid,p-methylbenzoic acid,p-toluylic acid,benzoic acid, 4-methyl,p-carboxytoluene,para-toluic acid,4-methyl-benzoic acid,toluenecarboxylic acid |
| IUPAC Name | 4-methylbenzoic acid |
| InChI Key | LPNBBFKOUUSUDB-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
4-Bromoanisole, 98%
CAS: 104-92-7 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00000097 InChI Key: QJPJQTDYNZXKQF-UHFFFAOYSA-N Synonym: 4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide PubChem CID: 7730 ChEBI: CHEBI:47257 IUPAC Name: 1-bromo-4-methoxybenzene SMILES: COC1=CC=C(C=C1)Br
| PubChem CID | 7730 |
|---|---|
| CAS | 104-92-7 |
| Molecular Weight (g/mol) | 187.04 |
| ChEBI | CHEBI:47257 |
| MDL Number | MFCD00000097 |
| SMILES | COC1=CC=C(C=C1)Br |
| Synonym | 4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide |
| IUPAC Name | 1-bromo-4-methoxybenzene |
| InChI Key | QJPJQTDYNZXKQF-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrO |
Cinnamoyl chloride, 98%, predominantly trans
CAS: 102-92-1 Molecular Formula: C9H7ClO Molecular Weight (g/mol): 166.61 MDL Number: MFCD00000732 InChI Key: WOGITNXCNOTRLK-VOTSOKGWSA-N Synonym: cinnamoyl chloride,cinnamic acid chloride,cinnamic chloride,trans-3-phenylacryloyl chloride,2-propenoyl chloride, 3-phenyl,cinnamoylchloride,e-cinnamoyl chloride,trans-cinnamoyl chloride,2e-3-phenylprop-2-enoyl chloride,3-phenyl-2-propenoyl chloride PubChem CID: 5354261 IUPAC Name: (E)-3-phenylprop-2-enoyl chloride SMILES: C1=CC=C(C=C1)C=CC(=O)Cl
| PubChem CID | 5354261 |
|---|---|
| CAS | 102-92-1 |
| Molecular Weight (g/mol) | 166.61 |
| MDL Number | MFCD00000732 |
| SMILES | C1=CC=C(C=C1)C=CC(=O)Cl |
| Synonym | cinnamoyl chloride,cinnamic acid chloride,cinnamic chloride,trans-3-phenylacryloyl chloride,2-propenoyl chloride, 3-phenyl,cinnamoylchloride,e-cinnamoyl chloride,trans-cinnamoyl chloride,2e-3-phenylprop-2-enoyl chloride,3-phenyl-2-propenoyl chloride |
| IUPAC Name | (E)-3-phenylprop-2-enoyl chloride |
| InChI Key | WOGITNXCNOTRLK-VOTSOKGWSA-N |
| Molecular Formula | C9H7ClO |
3-(Trifluoromethyl)benzylamine, 97%
CAS: 2740-83-2 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.154 MDL Number: MFCD00008117 InChI Key: YKNZTUQUXUXTLE-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzylamine,3-trifluoromethyl phenyl methanamine,3-trifluoromethylbenzylamine,m-trifluoromethylbenzylamine,m-trifluoromethylbenzyl amine,3-trifluoromethyl benzyl amine,benzenemethanamine, 3-trifluoromethyl,3-trifluoromethyl-benzylamine,m-trifluoromethyl benzylamine PubChem CID: 75962 IUPAC Name: [3-(trifluoromethyl)phenyl]methanamine SMILES: C1=CC(=CC(=C1)C(F)(F)F)CN
| PubChem CID | 75962 |
|---|---|
| CAS | 2740-83-2 |
| Molecular Weight (g/mol) | 175.154 |
| MDL Number | MFCD00008117 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CN |
| Synonym | 3-trifluoromethyl benzylamine,3-trifluoromethyl phenyl methanamine,3-trifluoromethylbenzylamine,m-trifluoromethylbenzylamine,m-trifluoromethylbenzyl amine,3-trifluoromethyl benzyl amine,benzenemethanamine, 3-trifluoromethyl,3-trifluoromethyl-benzylamine,m-trifluoromethyl benzylamine |
| IUPAC Name | [3-(trifluoromethyl)phenyl]methanamine |
| InChI Key | YKNZTUQUXUXTLE-UHFFFAOYSA-N |
| Molecular Formula | C8H8F3N |
Mesitaldehyde, 97%
CAS: 487-68-3 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00003341 InChI Key: HIKRJHFHGKZKRI-UHFFFAOYSA-N Synonym: mesitaldehyde,mesitylaldehyde,benzaldehyde, 2,4,6-trimethyl,2-mesitylenecarboxaldehyde,mesitylenecarboxaldehyde,2-formylmesitylene,2,4,6-trimethyl-benzaldehyde,isodural,mesityl aldehyde,b-isodural PubChem CID: 10254 IUPAC Name: 2,4,6-trimethylbenzaldehyde SMILES: CC1=CC(C)=C(C=O)C(C)=C1
| PubChem CID | 10254 |
|---|---|
| CAS | 487-68-3 |
| Molecular Weight (g/mol) | 148.21 |
| MDL Number | MFCD00003341 |
| SMILES | CC1=CC(C)=C(C=O)C(C)=C1 |
| Synonym | mesitaldehyde,mesitylaldehyde,benzaldehyde, 2,4,6-trimethyl,2-mesitylenecarboxaldehyde,mesitylenecarboxaldehyde,2-formylmesitylene,2,4,6-trimethyl-benzaldehyde,isodural,mesityl aldehyde,b-isodural |
| IUPAC Name | 2,4,6-trimethylbenzaldehyde |
| InChI Key | HIKRJHFHGKZKRI-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
4-(Trifluoromethyl)benzyl alcohol, 98%
CAS: 349-95-1 Molecular Formula: C8H7F3O Molecular Weight (g/mol): 176.138 MDL Number: MFCD00004661 InChI Key: MOOUWXDQAUXZRG-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzyl alcohol,4-trifluoromethyl phenyl methanol,p-trifluoromethylbenzyl alcohol,4-trifluoromethyl benzene methanol,4-trifluoromethyl benzylic alcohol,benzenemethanol, 4-trifluoromethyl,4-trifluoromethylbenzyl alcohol,ccris 5117,4-trifluoromethyl benzylalcohol PubChem CID: 67684 IUPAC Name: [4-(trifluoromethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CO)C(F)(F)F
| PubChem CID | 67684 |
|---|---|
| CAS | 349-95-1 |
| Molecular Weight (g/mol) | 176.138 |
| MDL Number | MFCD00004661 |
| SMILES | C1=CC(=CC=C1CO)C(F)(F)F |
| Synonym | 4-trifluoromethyl benzyl alcohol,4-trifluoromethyl phenyl methanol,p-trifluoromethylbenzyl alcohol,4-trifluoromethyl benzene methanol,4-trifluoromethyl benzylic alcohol,benzenemethanol, 4-trifluoromethyl,4-trifluoromethylbenzyl alcohol,ccris 5117,4-trifluoromethyl benzylalcohol |
| IUPAC Name | [4-(trifluoromethyl)phenyl]methanol |
| InChI Key | MOOUWXDQAUXZRG-UHFFFAOYSA-N |
| Molecular Formula | C8H7F3O |
1,2-Phthalic dicarboxaldehyde, 98+%
CAS: 643-79-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00003335 InChI Key: ZWLUXSQADUDCSB-UHFFFAOYSA-N Synonym: o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde PubChem CID: 4807 ChEBI: CHEBI:70851 IUPAC Name: phthalaldehyde SMILES: O=CC1=CC=CC=C1C=O
| PubChem CID | 4807 |
|---|---|
| CAS | 643-79-8 |
| Molecular Weight (g/mol) | 134.13 |
| ChEBI | CHEBI:70851 |
| MDL Number | MFCD00003335 |
| SMILES | O=CC1=CC=CC=C1C=O |
| Synonym | o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde |
| IUPAC Name | phthalaldehyde |
| InChI Key | ZWLUXSQADUDCSB-UHFFFAOYSA-N |
| Molecular Formula | C8H6O2 |
Ethyl 4-Aminobenzoate 99.0+%, TCI America™
CAS: 94-09-7 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00007892 InChI Key: BLFLLBZGZJTVJG-UHFFFAOYSA-N Synonym: benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin PubChem CID: 2337 ChEBI: CHEBI:116735 IUPAC Name: ethyl 4-aminobenzoate SMILES: CCOC(=O)C1=CC=C(N)C=C1
| PubChem CID | 2337 |
|---|---|
| CAS | 94-09-7 |
| Molecular Weight (g/mol) | 165.19 |
| ChEBI | CHEBI:116735 |
| MDL Number | MFCD00007892 |
| SMILES | CCOC(=O)C1=CC=C(N)C=C1 |
| Synonym | benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin |
| IUPAC Name | ethyl 4-aminobenzoate |
| InChI Key | BLFLLBZGZJTVJG-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
2-Phenoxyethanol, 94%
CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 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
| PubChem CID | 31236 |
|---|---|
| CAS | 122-99-6 |
| Molecular Weight (g/mol) | 138.166 |
| 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 |
3-Nitrotoluene, 99%
CAS: 99-08-1 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007265 InChI Key: QZYHIOPPLUPUJF-UHFFFAOYSA-N Synonym: 3-nitrotoluene,m-nitrotoluene,3-nitrotoluol,benzene, 1-methyl-3-nitro,m-methylnitrobenzene,toluene, m-nitro,meta-nitrotoluol,3-methylnitrobenzene,m-nitrotoluol,nitrotoluene, m PubChem CID: 7422 ChEBI: CHEBI:39931 IUPAC Name: 1-methyl-3-nitrobenzene SMILES: CC1=CC=CC(=C1)[N+]([O-])=O
| PubChem CID | 7422 |
|---|---|
| CAS | 99-08-1 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:39931 |
| MDL Number | MFCD00007265 |
| SMILES | CC1=CC=CC(=C1)[N+]([O-])=O |
| Synonym | 3-nitrotoluene,m-nitrotoluene,3-nitrotoluol,benzene, 1-methyl-3-nitro,m-methylnitrobenzene,toluene, m-nitro,meta-nitrotoluol,3-methylnitrobenzene,m-nitrotoluol,nitrotoluene, m |
| IUPAC Name | 1-methyl-3-nitrobenzene |
| InChI Key | QZYHIOPPLUPUJF-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |