Benzene and substituted derivatives
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Isobutyl 4-hydroxybenzoate, 98%
CAS: 2-3-4247 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00020167 InChI Key: XPJVKCRENWUEJH-UHFFFAOYSA-N Synonym: isobutyl 4-hydroxybenzoate,isobutylparaben,isobutyl p-hydroxybenzoate,isobutyl paraben,isobutyl-4-hydroxybenzoate,isobutyl parahydroxybenzoate,4-hydroxybenzoic acid isobutyl ester,benzoic acid, 4-hydroxy-, 2-methylpropyl ester,p-oxybenzoesaureisobutylester,unii-0qqj25x58g PubChem CID: 20240 IUPAC Name: 2-methylpropyl 4-hydroxybenzoate SMILES: CC(C)COC(=O)C1=CC=C(C=C1)O
| PubChem CID | 20240 |
|---|---|
| CAS | 2-3-4247 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00020167 |
| SMILES | CC(C)COC(=O)C1=CC=C(C=C1)O |
| Synonym | isobutyl 4-hydroxybenzoate,isobutylparaben,isobutyl p-hydroxybenzoate,isobutyl paraben,isobutyl-4-hydroxybenzoate,isobutyl parahydroxybenzoate,4-hydroxybenzoic acid isobutyl ester,benzoic acid, 4-hydroxy-, 2-methylpropyl ester,p-oxybenzoesaureisobutylester,unii-0qqj25x58g |
| IUPAC Name | 2-methylpropyl 4-hydroxybenzoate |
| InChI Key | XPJVKCRENWUEJH-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
n-Butyl benzoate, 98%
CAS: 136-60-7 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00009439 InChI Key: XSIFPSYPOVKYCO-UHFFFAOYSA-N Synonym: n-butyl benzoate,benzoic acid, butyl ester,anthrapole az,benzoic acid butyl ester,dai cari xbn,benzoic acid n-butyl ester,butylester kyseliny benzoove,butylbenzoate,unii-1tgz0d0o8i,butylester kyseliny benzoove czech PubChem CID: 8698 IUPAC Name: butyl benzoate SMILES: CCCCOC(=O)C1=CC=CC=C1
| PubChem CID | 8698 |
|---|---|
| CAS | 136-60-7 |
| Molecular Weight (g/mol) | 178.23 |
| MDL Number | MFCD00009439 |
| SMILES | CCCCOC(=O)C1=CC=CC=C1 |
| Synonym | n-butyl benzoate,benzoic acid, butyl ester,anthrapole az,benzoic acid butyl ester,dai cari xbn,benzoic acid n-butyl ester,butylester kyseliny benzoove,butylbenzoate,unii-1tgz0d0o8i,butylester kyseliny benzoove czech |
| IUPAC Name | butyl benzoate |
| InChI Key | XSIFPSYPOVKYCO-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
3,5-Di-tert-butyl-4-hydroxybenzyl alcohol, 97%
CAS: 88-26-6 Molecular Formula: C15H24O2 Molecular Weight (g/mol): 236.355 MDL Number: MFCD00017254 InChI Key: HNURKXXMYARGAY-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxybenzyl alcohol,2,6-di-tert-butyl-4-hydroxymethyl phenol,2,6-di-tert-butyl-4-hydroxymethylphenol,bht alcohol,antioxidant 754,ionox 100,ionox 100 antioxidant,3,5-di-t-butyl-4-hydroxybenzyl alcohol,butylated hydroxymethylphenol,2,6-di-t-butyl-4-hydroxymethylphenol PubChem CID: 6929 IUPAC Name: 2,6-ditert-butyl-4-(hydroxymethyl)phenol SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO
| PubChem CID | 6929 |
|---|---|
| CAS | 88-26-6 |
| Molecular Weight (g/mol) | 236.355 |
| MDL Number | MFCD00017254 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO |
| Synonym | 3,5-di-tert-butyl-4-hydroxybenzyl alcohol,2,6-di-tert-butyl-4-hydroxymethyl phenol,2,6-di-tert-butyl-4-hydroxymethylphenol,bht alcohol,antioxidant 754,ionox 100,ionox 100 antioxidant,3,5-di-t-butyl-4-hydroxybenzyl alcohol,butylated hydroxymethylphenol,2,6-di-t-butyl-4-hydroxymethylphenol |
| IUPAC Name | 2,6-ditert-butyl-4-(hydroxymethyl)phenol |
| InChI Key | HNURKXXMYARGAY-UHFFFAOYSA-N |
| Molecular Formula | C15H24O2 |
(S)-(-)-1-(4-Fluorophenyl)ethyl isocyanate, 95%
CAS: 745783-74-8 Molecular Formula: C9H8FNO Molecular Weight (g/mol): 165.167 MDL Number: MFCD05664076 InChI Key: MUHCZVYPBWOTTJ-ZETCQYMHSA-N Synonym: s---1-4-fluorophenyl ethyl isocyanate,1-fluoro-4-1s-1-isocyanatoethyl benzene,benzene, 1-fluoro-4-1s-1-isocyanatoethyl-9ci PubChem CID: 7018264 IUPAC Name: 1-fluoro-4-[(1S)-1-isocyanatoethyl]benzene SMILES: CC(C1=CC=C(C=C1)F)N=C=O
| PubChem CID | 7018264 |
|---|---|
| CAS | 745783-74-8 |
| Molecular Weight (g/mol) | 165.167 |
| MDL Number | MFCD05664076 |
| SMILES | CC(C1=CC=C(C=C1)F)N=C=O |
| Synonym | s---1-4-fluorophenyl ethyl isocyanate,1-fluoro-4-1s-1-isocyanatoethyl benzene,benzene, 1-fluoro-4-1s-1-isocyanatoethyl-9ci |
| IUPAC Name | 1-fluoro-4-[(1S)-1-isocyanatoethyl]benzene |
| InChI Key | MUHCZVYPBWOTTJ-ZETCQYMHSA-N |
| Molecular Formula | C9H8FNO |
3-Fluorobenzylamine, 97%
CAS: 100-82-3 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00008113 InChI Key: QVSVMNXRLWSNGS-UHFFFAOYSA-N Synonym: 3-fluorobenzylamine,3-fluorophenyl methanamine,m-fluorobenzylamine,benzenemethanamine, 3-fluoro,1-3-fluorophenyl methanamine,3-fluoro-benzylamine,benzylamine, m-fluoro,3-fluorophenyl methylamine,m-fluorobenzyl amine,3-fluorobenzyl amine PubChem CID: 66853 IUPAC Name: (3-fluorophenyl)methanamine SMILES: C1=CC(=CC(=C1)F)CN
| PubChem CID | 66853 |
|---|---|
| CAS | 100-82-3 |
| Molecular Weight (g/mol) | 125.15 |
| MDL Number | MFCD00008113 |
| SMILES | C1=CC(=CC(=C1)F)CN |
| Synonym | 3-fluorobenzylamine,3-fluorophenyl methanamine,m-fluorobenzylamine,benzenemethanamine, 3-fluoro,1-3-fluorophenyl methanamine,3-fluoro-benzylamine,benzylamine, m-fluoro,3-fluorophenyl methylamine,m-fluorobenzyl amine,3-fluorobenzyl amine |
| IUPAC Name | (3-fluorophenyl)methanamine |
| InChI Key | QVSVMNXRLWSNGS-UHFFFAOYSA-N |
| Molecular Formula | C7H8FN |
2-Phenoxybenzoic acid, 98%
CAS: 2243-42-7 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002429 InChI Key: PKRSYEPBQPFNRB-UHFFFAOYSA-N Synonym: o-phenoxybenzoic acid,benzoic acid, 2-phenoxy,benzoic acid, o-phenoxy,phenoxybenzoic acid,ortho-phenoxybenzoic acid,2-phenoxybenzoicacid,2-carboxydiphenyl ether,2-phenoxy-benzoic acid,o-phenoxybenzoic acid,o-carboxydiphenyl ether PubChem CID: 75237 ChEBI: CHEBI:72636 IUPAC Name: 2-phenoxybenzoic acid SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)O
| PubChem CID | 75237 |
|---|---|
| CAS | 2243-42-7 |
| Molecular Weight (g/mol) | 214.22 |
| ChEBI | CHEBI:72636 |
| MDL Number | MFCD00002429 |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)O |
| Synonym | o-phenoxybenzoic acid,benzoic acid, 2-phenoxy,benzoic acid, o-phenoxy,phenoxybenzoic acid,ortho-phenoxybenzoic acid,2-phenoxybenzoicacid,2-carboxydiphenyl ether,2-phenoxy-benzoic acid,o-phenoxybenzoic acid,o-carboxydiphenyl ether |
| IUPAC Name | 2-phenoxybenzoic acid |
| InChI Key | PKRSYEPBQPFNRB-UHFFFAOYSA-N |
| Molecular Formula | C13H10O3 |
4,4'-Diaminodiphenylmethane, 97%, Thermo Scientific Chemicals
CAS: 101-77-9 Molecular Formula: C13H14N2 Molecular Weight (g/mol): 198.27 MDL Number: MFCD00007914 InChI Key: YBRVSVVVWCFQMG-UHFFFAOYSA-N Synonym: 4,4'-methylenedianiline,4,4'-diaminodiphenylmethane,dadpm,methylenedianiline,dianilinomethane,tonox,p,p'-methylenedianiline,dianilinemethane,bis 4-aminophenyl methane,4-4-aminobenzyl aniline PubChem CID: 7577 ChEBI: CHEBI:32506 IUPAC Name: 4-[(4-aminophenyl)methyl]aniline SMILES: NC1=CC=C(CC2=CC=C(N)C=C2)C=C1
| PubChem CID | 7577 |
|---|---|
| CAS | 101-77-9 |
| Molecular Weight (g/mol) | 198.27 |
| ChEBI | CHEBI:32506 |
| MDL Number | MFCD00007914 |
| SMILES | NC1=CC=C(CC2=CC=C(N)C=C2)C=C1 |
| Synonym | 4,4'-methylenedianiline,4,4'-diaminodiphenylmethane,dadpm,methylenedianiline,dianilinomethane,tonox,p,p'-methylenedianiline,dianilinemethane,bis 4-aminophenyl methane,4-4-aminobenzyl aniline |
| IUPAC Name | 4-[(4-aminophenyl)methyl]aniline |
| InChI Key | YBRVSVVVWCFQMG-UHFFFAOYSA-N |
| Molecular Formula | C13H14N2 |
| CAS | 11-8-4940 |
|---|---|
| Molecular Weight (g/mol) | 140.14 |
| Molecular Formula | C7H8O3 |
Ethyl 4-hydroxybenzoate, 99%
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
| PubChem CID | 8434 |
|---|---|
| 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 |
o-Toluic acid, 98+%
CAS: 118-90-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002477 InChI Key: ZWLPBLYKEWSWPD-UHFFFAOYSA-N Synonym: o-toluic acid,o-toluylic acid,orthotoluic acid,2-toluic acid,toluic acid,benzoic acid, 2-methyl,o-methylbenzoic acid,2-methyl-benzoic acid,benzoic acid, methyl,o-toluate PubChem CID: 8373 ChEBI: CHEBI:36632 IUPAC Name: 2-methylbenzoic acid SMILES: CC1=CC=CC=C1C(=O)O
| PubChem CID | 8373 |
|---|---|
| CAS | 118-90-1 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:36632 |
| MDL Number | MFCD00002477 |
| SMILES | CC1=CC=CC=C1C(=O)O |
| Synonym | o-toluic acid,o-toluylic acid,orthotoluic acid,2-toluic acid,toluic acid,benzoic acid, 2-methyl,o-methylbenzoic acid,2-methyl-benzoic acid,benzoic acid, methyl,o-toluate |
| IUPAC Name | 2-methylbenzoic acid |
| InChI Key | ZWLPBLYKEWSWPD-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
2-Chlorophenylacetonitrile, 98+%
CAS: 2856-63-5 Molecular Formula: C8H6ClN Molecular Weight (g/mol): 151.593 MDL Number: MFCD00001898 InChI Key: MRDUURPIPLIGQX-UHFFFAOYSA-N Synonym: 2-chlorobenzyl cyanide,2-chlorophenylacetonitrile,2-2-chlorophenyl acetonitrile,o-chlorobenzyl cyanide,benzeneacetonitrile, 2-chloro,2-chlorobenzeneacetonitrile,2-chlorobenzylcyanide,2-chlorophenyl acetonitrile,o-chlorophenyl acetonitrile,acetonitrile, o-chlorophenyl PubChem CID: 76112 IUPAC Name: 2-(2-chlorophenyl)acetonitrile SMILES: C1=CC=C(C(=C1)CC#N)Cl
| PubChem CID | 76112 |
|---|---|
| CAS | 2856-63-5 |
| Molecular Weight (g/mol) | 151.593 |
| MDL Number | MFCD00001898 |
| SMILES | C1=CC=C(C(=C1)CC#N)Cl |
| Synonym | 2-chlorobenzyl cyanide,2-chlorophenylacetonitrile,2-2-chlorophenyl acetonitrile,o-chlorobenzyl cyanide,benzeneacetonitrile, 2-chloro,2-chlorobenzeneacetonitrile,2-chlorobenzylcyanide,2-chlorophenyl acetonitrile,o-chlorophenyl acetonitrile,acetonitrile, o-chlorophenyl |
| IUPAC Name | 2-(2-chlorophenyl)acetonitrile |
| InChI Key | MRDUURPIPLIGQX-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClN |
Tribenzylamine, 99+%
CAS: 620-40-6 Molecular Formula: C21H21N Molecular Weight (g/mol): 287.41 MDL Number: MFCD00004773 InChI Key: MXHTZQSKTCCMFG-UHFFFAOYSA-N Synonym: tribenzylamine,benzenemethanamine, n,n-bis phenylmethyl,unii-hz10o1931j,trisbenzylamine,n,n-dibenzyl-1-phenyl-methanamine,pubchem21076,acmc-1atok,dsstox_cid_27031,dsstox_rid_82052 PubChem CID: 24321 IUPAC Name: N,N-dibenzyl-1-phenylmethanamine SMILES: C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 24321 |
|---|---|
| CAS | 620-40-6 |
| Molecular Weight (g/mol) | 287.41 |
| MDL Number | MFCD00004773 |
| SMILES | C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tribenzylamine,benzenemethanamine, n,n-bis phenylmethyl,unii-hz10o1931j,trisbenzylamine,n,n-dibenzyl-1-phenyl-methanamine,pubchem21076,acmc-1atok,dsstox_cid_27031,dsstox_rid_82052 |
| IUPAC Name | N,N-dibenzyl-1-phenylmethanamine |
| InChI Key | MXHTZQSKTCCMFG-UHFFFAOYSA-N |
| Molecular Formula | C21H21N |
4-Nitrobenzaldehyde, 99%
CAS: 555-16-8 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.12 MDL Number: MFCD00007346 InChI Key: BXRFQSNOROATLV-UHFFFAOYSA-N Synonym: p-nitrobenzaldehyde,benzaldehyde, 4-nitro,p-formylnitrobenzene,benzaldehyde, p-nitro,4-nitrobenzaldehydde,4-nitro-benzaldehyde,4-formylnitrobenzene,p-nitro benzaldehyde,4-nitro benzaldehyde,ccris 1675 PubChem CID: 541 ChEBI: CHEBI:66926 IUPAC Name: 4-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC=C(C=O)C=C1
| PubChem CID | 541 |
|---|---|
| CAS | 555-16-8 |
| Molecular Weight (g/mol) | 151.12 |
| ChEBI | CHEBI:66926 |
| MDL Number | MFCD00007346 |
| SMILES | [O-][N+](=O)C1=CC=C(C=O)C=C1 |
| Synonym | p-nitrobenzaldehyde,benzaldehyde, 4-nitro,p-formylnitrobenzene,benzaldehyde, p-nitro,4-nitrobenzaldehydde,4-nitro-benzaldehyde,4-formylnitrobenzene,p-nitro benzaldehyde,4-nitro benzaldehyde,ccris 1675 |
| IUPAC Name | 4-nitrobenzaldehyde |
| InChI Key | BXRFQSNOROATLV-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO3 |
o-Tolidine dihydrochloride, ACS
CAS: 612-82-8 Molecular Formula: C14H18Cl2N2 Molecular Weight (g/mol): 285.212 MDL Number: MFCD00012960 InChI Key: LUKPNZHXJRJBAN-UHFFFAOYSA-N Synonym: 3,3'-dimethylbenzidine dihydrochloride,o-tolidine dihydrochloride,3,3'-dimethyl-1,1'-biphenyl-4,4'-diamine dihydrochloride,unii-5msk350kd8,dsstox_cid_511,dsstox_rid_75633,dsstox_gsid_20511,tolidine dihydrochloride,1,1'-biphenyl-4,4'-diamine, 3,3'-dimethyl-, dihydrochloride,3,3'-dimethylbenzidine.2hcl PubChem CID: 108938 IUPAC Name: 4-(4-amino-3-methylphenyl)-2-methylaniline;dihydrochloride SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl
| PubChem CID | 108938 |
|---|---|
| CAS | 612-82-8 |
| Molecular Weight (g/mol) | 285.212 |
| MDL Number | MFCD00012960 |
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl |
| Synonym | 3,3'-dimethylbenzidine dihydrochloride,o-tolidine dihydrochloride,3,3'-dimethyl-1,1'-biphenyl-4,4'-diamine dihydrochloride,unii-5msk350kd8,dsstox_cid_511,dsstox_rid_75633,dsstox_gsid_20511,tolidine dihydrochloride,1,1'-biphenyl-4,4'-diamine, 3,3'-dimethyl-, dihydrochloride,3,3'-dimethylbenzidine.2hcl |
| IUPAC Name | 4-(4-amino-3-methylphenyl)-2-methylaniline;dihydrochloride |
| InChI Key | LUKPNZHXJRJBAN-UHFFFAOYSA-N |
| Molecular Formula | C14H18Cl2N2 |
Pterostilbene 98.0+%, TCI America™
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CAS: 537-42-8 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.301 MDL Number: MFCD00238710 InChI Key: VLEUZFDZJKSGMX-ONEGZZNKSA-N Synonym: 4′C-Hydroxy-3,5-dimethoxy-trans-stilbene, trans-1-(3,5-Dimethoxyphenyl)-2-(4-hydroxyphenyl)ethylene PubChem CID: 5281727 ChEBI: CHEBI:8630 IUPAC Name: 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol SMILES: COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)O)OC
| PubChem CID | 5281727 |
|---|---|
| CAS | 537-42-8 |
| Molecular Weight (g/mol) | 256.301 |
| ChEBI | CHEBI:8630 |
| MDL Number | MFCD00238710 |
| SMILES | COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)O)OC |
| Synonym | 4′C-Hydroxy-3,5-dimethoxy-trans-stilbene, trans-1-(3,5-Dimethoxyphenyl)-2-(4-hydroxyphenyl)ethylene |
| IUPAC Name | 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol |
| InChI Key | VLEUZFDZJKSGMX-ONEGZZNKSA-N |
| Molecular Formula | C16H16O3 |