Benzene and substituted derivatives
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3'-Nitroacetanilide 98.0+%, TCI America™
CAS: 122-28-1 Molecular Formula: C8H8N2O3 Molecular Weight (g/mol): 180.163 MDL Number: MFCD00017015 InChI Key: KFTYNYHJHKCRKU-UHFFFAOYSA-N Synonym: n-3-nitrophenyl acetamide,3'-nitroacetanilide,m-nitroacetanilide,3-nitroacetanilide,acetamide, n-3-nitrophenyl,n-acetyl-m-nitroaniline,3-nitro-n-acetylaniline,acetanilide, 3'-nitro,unii-qgh8s22nbp,qgh8s22nbp PubChem CID: 31206 IUPAC Name: N-(3-nitrophenyl)acetamide SMILES: CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
| PubChem CID | 31206 |
|---|---|
| CAS | 122-28-1 |
| Molecular Weight (g/mol) | 180.163 |
| MDL Number | MFCD00017015 |
| SMILES | CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-] |
| Synonym | n-3-nitrophenyl acetamide,3'-nitroacetanilide,m-nitroacetanilide,3-nitroacetanilide,acetamide, n-3-nitrophenyl,n-acetyl-m-nitroaniline,3-nitro-n-acetylaniline,acetanilide, 3'-nitro,unii-qgh8s22nbp,qgh8s22nbp |
| IUPAC Name | N-(3-nitrophenyl)acetamide |
| InChI Key | KFTYNYHJHKCRKU-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O3 |
2-Nitrophenetole 98.0+%, TCI America™
CAS: 610-67-3 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD00053603 InChI Key: XGLGESCVNJSAQY-UHFFFAOYSA-N Synonym: 1-Ethoxy-2-nitrobenzene PubChem CID: 11889 IUPAC Name: 1-ethoxy-2-nitrobenzene SMILES: CCOC1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 11889 |
|---|---|
| CAS | 610-67-3 |
| Molecular Weight (g/mol) | 167.16 |
| MDL Number | MFCD00053603 |
| SMILES | CCOC1=CC=CC=C1[N+]([O-])=O |
| Synonym | 1-Ethoxy-2-nitrobenzene |
| IUPAC Name | 1-ethoxy-2-nitrobenzene |
| InChI Key | XGLGESCVNJSAQY-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
4-Nitrobenzenesulfonamide 98.0+%, TCI America™
CAS: 6325-93-5 Molecular Formula: C6H6N2O4S Molecular Weight (g/mol): 202.18 MDL Number: MFCD00007937 InChI Key: QWKKYJLAUWFPDB-UHFFFAOYSA-N Synonym: benzenesulfonamide, 4-nitro,p-nitrobenzenesulfonamide,4-nitrobenzolesulfamide,p-nitrophenylsulfonamide,4-nitrobenzenesulphonamide,benzenesulfonamide, p-nitro,4-nitro-benzenesulfonamide,unii-tuf52o8y8b,tuf52o8y8b,4-nitrobenzene-1-sulfonamide PubChem CID: 22784 IUPAC Name: 4-nitrobenzene-1-sulfonamide SMILES: NS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 22784 |
|---|---|
| CAS | 6325-93-5 |
| Molecular Weight (g/mol) | 202.18 |
| MDL Number | MFCD00007937 |
| SMILES | NS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | benzenesulfonamide, 4-nitro,p-nitrobenzenesulfonamide,4-nitrobenzolesulfamide,p-nitrophenylsulfonamide,4-nitrobenzenesulphonamide,benzenesulfonamide, p-nitro,4-nitro-benzenesulfonamide,unii-tuf52o8y8b,tuf52o8y8b,4-nitrobenzene-1-sulfonamide |
| IUPAC Name | 4-nitrobenzene-1-sulfonamide |
| InChI Key | QWKKYJLAUWFPDB-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O4S |
Dimethyl Nitroterephthalate 97.0+%, TCI America™
CAS: 5292-45-5 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.18 MDL Number: MFCD00008422 InChI Key: PAYWCKGMOYQZAW-UHFFFAOYSA-N Synonym: dimethyl 2-nitroterephthalate,dimethyl nitroterephthalate,terephthalic acid, nitro-, dimethyl ester,unii-59qlu09dz4,1,4-benzenedicarboxylic acid, 2-nitro-, dimethyl ester,1,4-benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester,nitroterephthalic acid dimethyl ester,1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate,acmc-1aj3c,di-methyl nitroterephthalate PubChem CID: 21364 IUPAC Name: 1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC=C(C(=O)OC)C(=C1)[N+]([O-])=O
| PubChem CID | 21364 |
|---|---|
| CAS | 5292-45-5 |
| Molecular Weight (g/mol) | 239.18 |
| MDL Number | MFCD00008422 |
| SMILES | COC(=O)C1=CC=C(C(=O)OC)C(=C1)[N+]([O-])=O |
| Synonym | dimethyl 2-nitroterephthalate,dimethyl nitroterephthalate,terephthalic acid, nitro-, dimethyl ester,unii-59qlu09dz4,1,4-benzenedicarboxylic acid, 2-nitro-, dimethyl ester,1,4-benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester,nitroterephthalic acid dimethyl ester,1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate,acmc-1aj3c,di-methyl nitroterephthalate |
| IUPAC Name | 1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate |
| InChI Key | PAYWCKGMOYQZAW-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO6 |
2-Naphthyloxyacetic Acid 98.0+%, TCI America™
CAS: 120-23-0 Molecular Formula: C12H10O3 Molecular Weight (g/mol): 202.209 MDL Number: MFCD00004066 InChI Key: RZCJYMOBWVJQGV-UHFFFAOYSA-N Synonym: 2-naphthoxyacetic acid,2-naphthyloxy acetic acid,bnoa,2-naphthyloxyacetic acid,2-naphthalen-2-yloxy acetic acid,noxa,betoxon,2-noxa,naphthoxyacetic acid,betapal PubChem CID: 8422 ChEBI: CHEBI:50397 IUPAC Name: 2-naphthalen-2-yloxyacetic acid SMILES: C1=CC=C2C=C(C=CC2=C1)OCC(=O)O
| PubChem CID | 8422 |
|---|---|
| CAS | 120-23-0 |
| Molecular Weight (g/mol) | 202.209 |
| ChEBI | CHEBI:50397 |
| MDL Number | MFCD00004066 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)OCC(=O)O |
| Synonym | 2-naphthoxyacetic acid,2-naphthyloxy acetic acid,bnoa,2-naphthyloxyacetic acid,2-naphthalen-2-yloxy acetic acid,noxa,betoxon,2-noxa,naphthoxyacetic acid,betapal |
| IUPAC Name | 2-naphthalen-2-yloxyacetic acid |
| InChI Key | RZCJYMOBWVJQGV-UHFFFAOYSA-N |
| Molecular Formula | C12H10O3 |
4-Nitrophthalic Acid 98.0+%, TCI America™
CAS: 610-27-5 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007252 InChI Key: SLBQXWXKPNIVSQ-UHFFFAOYSA-N Synonym: 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 PubChem CID: 69121 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O
| PubChem CID | 69121 |
|---|---|
| CAS | 610-27-5 |
| Molecular Weight (g/mol) | 211.129 |
| MDL Number | MFCD00007252 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O |
| Synonym | 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 |
| InChI Key | SLBQXWXKPNIVSQ-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO6 |
Neopentyl Glycol Dibenzoate 98.0+%, TCI America™
CAS: 4196-89-8 Molecular Formula: C19H20O4 Molecular Weight (g/mol): 312.365 MDL Number: MFCD00020674 InChI Key: DYJIIMFHSZKBDY-UHFFFAOYSA-N Synonym: neopentyl glycol dibenzoate,2,2-dimethylpropane-1,3-diyl dibenzoate,unii-jbp9mr90cq,2,2-dimethyl-1,3-propanediol dibenzoate,1,3-propanediol, 2,2-dimethyl-, dibenzoate,jbp9mr90cq,3-benzoyloxy-2,2-dimethylpropyl benzoate,1,3-propanediol, 2,2-dimethyl-, 1,3-dibenzoate,neopentylglycoldibenzoate,2,3-propanediol dibenzoate PubChem CID: 20169 IUPAC Name: (3-benzoyloxy-2,2-dimethylpropyl) benzoate SMILES: CC(C)(COC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2
| PubChem CID | 20169 |
|---|---|
| CAS | 4196-89-8 |
| Molecular Weight (g/mol) | 312.365 |
| MDL Number | MFCD00020674 |
| SMILES | CC(C)(COC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2 |
| Synonym | neopentyl glycol dibenzoate,2,2-dimethylpropane-1,3-diyl dibenzoate,unii-jbp9mr90cq,2,2-dimethyl-1,3-propanediol dibenzoate,1,3-propanediol, 2,2-dimethyl-, dibenzoate,jbp9mr90cq,3-benzoyloxy-2,2-dimethylpropyl benzoate,1,3-propanediol, 2,2-dimethyl-, 1,3-dibenzoate,neopentylglycoldibenzoate,2,3-propanediol dibenzoate |
| IUPAC Name | (3-benzoyloxy-2,2-dimethylpropyl) benzoate |
| InChI Key | DYJIIMFHSZKBDY-UHFFFAOYSA-N |
| Molecular Formula | C19H20O4 |
4-Nitroanisole 98.0+%, TCI America™
CAS: 100-17-4 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007327 InChI Key: BNUHAJGCKIQFGE-UHFFFAOYSA-N Synonym: 4-nitroanisole,p-nitroanisole,4-methoxynitrobenzene,p-methoxynitrobenzene,benzene, 1-methoxy-4-nitro,nitroanisole,p-nitroanisol,anisole, p-nitro,4-nitrophenyl methyl ether,unii-g989z7wolh PubChem CID: 7485 ChEBI: CHEBI:1911 IUPAC Name: 1-methoxy-4-nitrobenzene SMILES: COC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 7485 |
|---|---|
| CAS | 100-17-4 |
| Molecular Weight (g/mol) | 153.14 |
| ChEBI | CHEBI:1911 |
| MDL Number | MFCD00007327 |
| SMILES | COC1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 4-nitroanisole,p-nitroanisole,4-methoxynitrobenzene,p-methoxynitrobenzene,benzene, 1-methoxy-4-nitro,nitroanisole,p-nitroanisol,anisole, p-nitro,4-nitrophenyl methyl ether,unii-g989z7wolh |
| IUPAC Name | 1-methoxy-4-nitrobenzene |
| InChI Key | BNUHAJGCKIQFGE-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
2-Nitrobenzyl Alcohol 98.0+%, TCI America™
CAS: 612-25-9 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007186 InChI Key: BWRBVBFLFQKBPT-UHFFFAOYSA-N Synonym: 2-nitrobenzyl alcohol,2-nitrophenyl methanol,o-nitrobenzyl alcohol,benzyl alcohol, o-nitro,benzenemethanol, 2-nitro,2-nitrobenzenemethanol,o-hydroxymethylnitrobenzene,ccris 7967,benzenemethanol, nitro,2-nitrophenyl methan-1-ol PubChem CID: 11923 IUPAC Name: (2-nitrophenyl)methanol SMILES: OCC1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 11923 |
|---|---|
| CAS | 612-25-9 |
| Molecular Weight (g/mol) | 153.14 |
| MDL Number | MFCD00007186 |
| SMILES | OCC1=CC=CC=C1[N+]([O-])=O |
| Synonym | 2-nitrobenzyl alcohol,2-nitrophenyl methanol,o-nitrobenzyl alcohol,benzyl alcohol, o-nitro,benzenemethanol, 2-nitro,2-nitrobenzenemethanol,o-hydroxymethylnitrobenzene,ccris 7967,benzenemethanol, nitro,2-nitrophenyl methan-1-ol |
| IUPAC Name | (2-nitrophenyl)methanol |
| InChI Key | BWRBVBFLFQKBPT-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
3-Nitrobenzaldehyde 98.0+%, TCI America™
CAS: 99-61-6 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.121 MDL Number: MFCD00007249 InChI Key: ZETIVVHRRQLWFW-UHFFFAOYSA-N Synonym: m-nitrobenzaldehyde,benzaldehyde, 3-nitro,3-formylnitrobenzene,meta-nitrobenzaldehyde,benzaldehyde, m-nitro,5-nitrobenzaldehyde,unii-g4o92ko71z,3-nitro-benzaldehyde,ccris 1784,m-nitro-benzaldehyde PubChem CID: 7449 IUPAC Name: 3-nitrobenzaldehyde SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C=O
| PubChem CID | 7449 |
|---|---|
| CAS | 99-61-6 |
| Molecular Weight (g/mol) | 151.121 |
| MDL Number | MFCD00007249 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=O |
| Synonym | m-nitrobenzaldehyde,benzaldehyde, 3-nitro,3-formylnitrobenzene,meta-nitrobenzaldehyde,benzaldehyde, m-nitro,5-nitrobenzaldehyde,unii-g4o92ko71z,3-nitro-benzaldehyde,ccris 1784,m-nitro-benzaldehyde |
| IUPAC Name | 3-nitrobenzaldehyde |
| InChI Key | ZETIVVHRRQLWFW-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO3 |
4-Nitrobenzotrifluoride 98.0+%, TCI America™
CAS: 402-54-0 Molecular Formula: C7H4F3NO2 Molecular Weight (g/mol): 191.109 MDL Number: MFCD00007358 InChI Key: XKYLCLMYQDFGKO-UHFFFAOYSA-N Synonym: 4-nitrobenzotrifluoride,1-nitro-4-trifluoromethyl benzene,p-nitrobenzotrifluoride,benzene, 1-nitro-4-trifluoromethyl,4-nitro-alpha,alpha,alpha-trifluorotoluene,4-trifluoromethyl nitrobenzene,4-nitro-a,a,a-trifluorotoluene,p-nitro-trifluoromethylphenol,p-trifluoromethylnitrobenzene,4-nitro-.alpha.,.alpha.,.alpha.-trifluorotoluene PubChem CID: 9821 IUPAC Name: 1-nitro-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)[N+](=O)[O-]
| PubChem CID | 9821 |
|---|---|
| CAS | 402-54-0 |
| Molecular Weight (g/mol) | 191.109 |
| MDL Number | MFCD00007358 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)[N+](=O)[O-] |
| Synonym | 4-nitrobenzotrifluoride,1-nitro-4-trifluoromethyl benzene,p-nitrobenzotrifluoride,benzene, 1-nitro-4-trifluoromethyl,4-nitro-alpha,alpha,alpha-trifluorotoluene,4-trifluoromethyl nitrobenzene,4-nitro-a,a,a-trifluorotoluene,p-nitro-trifluoromethylphenol,p-trifluoromethylnitrobenzene,4-nitro-.alpha.,.alpha.,.alpha.-trifluorotoluene |
| IUPAC Name | 1-nitro-4-(trifluoromethyl)benzene |
| InChI Key | XKYLCLMYQDFGKO-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO2 |
(1-Naphthylmethyl)triphenylphosphonium Chloride 98.0+%, TCI America™
CAS: 23277-00-1 Molecular Formula: C29H24ClP Molecular Weight (g/mol): 438.93 MDL Number: MFCD00031658 InChI Key: MOYSMPXSEXYEJV-UHFFFAOYSA-M Synonym: 1-naphthylmethyl triphenylphosphonium chloride,naphthalen-1-ylmethyl triphenylphosphonium chloride,1-naphthylmethyl triphenylphosphoniumchloride,naphthalen-1-ylmethyl triphenyl phosphanium chloride,1-naphthylmethyltriphenylphosphonium chloride,acmc-209g2f,1-napthylmethyl triphenylphosphonium chloride,triphenyl 1-naphthylmethyl phosphonium chloride,1-naphthylmethyl-triphenylphosphonium chloride,1-naphthalenylmethyl triphenyl phosphonium chloride PubChem CID: 2734113 IUPAC Name: [(naphthalen-1-yl)methyl]triphenylphosphanium chloride SMILES: [Cl-].C(C1=CC=CC2=CC=CC=C12)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2734113 |
|---|---|
| CAS | 23277-00-1 |
| Molecular Weight (g/mol) | 438.93 |
| MDL Number | MFCD00031658 |
| SMILES | [Cl-].C(C1=CC=CC2=CC=CC=C12)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1-naphthylmethyl triphenylphosphonium chloride,naphthalen-1-ylmethyl triphenylphosphonium chloride,1-naphthylmethyl triphenylphosphoniumchloride,naphthalen-1-ylmethyl triphenyl phosphanium chloride,1-naphthylmethyltriphenylphosphonium chloride,acmc-209g2f,1-napthylmethyl triphenylphosphonium chloride,triphenyl 1-naphthylmethyl phosphonium chloride,1-naphthylmethyl-triphenylphosphonium chloride,1-naphthalenylmethyl triphenyl phosphonium chloride |
| IUPAC Name | [(naphthalen-1-yl)methyl]triphenylphosphanium chloride |
| InChI Key | MOYSMPXSEXYEJV-UHFFFAOYSA-M |
| Molecular Formula | C29H24ClP |
Butyl Salicylate 99.0+%, TCI America™
CAS: 2052-14-4 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00020038 InChI Key: YFDUWSBGVPBWKF-UHFFFAOYSA-N Synonym: Salicylic Acid Butyl Ester, 2-Hydroxybenzoic Acid Butyl Ester, Butyl 2-Hydroxybenzoate PubChem CID: 16330 IUPAC Name: butyl 2-hydroxybenzoate SMILES: CCCCOC(=O)C1=CC=CC=C1O
| PubChem CID | 16330 |
|---|---|
| CAS | 2052-14-4 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00020038 |
| SMILES | CCCCOC(=O)C1=CC=CC=C1O |
| Synonym | Salicylic Acid Butyl Ester, 2-Hydroxybenzoic Acid Butyl Ester, Butyl 2-Hydroxybenzoate |
| IUPAC Name | butyl 2-hydroxybenzoate |
| InChI Key | YFDUWSBGVPBWKF-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
| Molecular Weight (g/mol) | 197.956 |
|---|---|
| Color | White |
| Physical Form | Crystalline Powder |
| Chemical Name or Material | 3-Fluoro-4-(methoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride) |
| SMILES | B(C1=CC(=C(C=C1)C(=O)OC)F)(O)O |
| InChI Key | YZYGXFXSMDUXJT-UHFFFAOYSA-N |
| PubChem CID | 2782818 |
| CAS | 505083-04-5 |
| MDL Number | MFCD04115665 |
| TSCA | No |
| IUPAC Name | (3-fluoro-4-methoxycarbonylphenyl)boronic acid |
| Molecular Formula | C8H8BFO4 |
| Formula Weight | 197.96 |
| Melting Point | 184°C |
3-Fluoro-4-methoxybenzyl Chloride 98.0+%, TCI America™
CAS: 351-52-0 Molecular Formula: C8H8ClFO Molecular Weight (g/mol): 174.60 MDL Number: MFCD04973773 InChI Key: DDAXEANMRGIVDY-UHFFFAOYSA-N Synonym: 3-fluoro-4-methoxybenzyl chloride,4-chloromethyl-2-fluoro-1-methoxybenzene,3-fluoro-4-methoxybenzylchloride,benzene,4-chloromethyl-2-fluoro-1-methoxy,benzene, 4-chloromethyl-2-fluoro-1-methoxy,4-chloromethyl-2-fluorophenyl methyl ether,4-chloromethyl-2-fluoro-1-methoxy-benzene,3-fluor-4-methoxy-benzylchlorid,4-chloromethyl-2-fluoroanisole,3-fluoro-4-methoxy benzyl chloride PubChem CID: 2060903 IUPAC Name: 4-(chloromethyl)-2-fluoro-1-methoxybenzene SMILES: COC1=CC=C(CCl)C=C1F
| PubChem CID | 2060903 |
|---|---|
| CAS | 351-52-0 |
| Molecular Weight (g/mol) | 174.60 |
| MDL Number | MFCD04973773 |
| SMILES | COC1=CC=C(CCl)C=C1F |
| Synonym | 3-fluoro-4-methoxybenzyl chloride,4-chloromethyl-2-fluoro-1-methoxybenzene,3-fluoro-4-methoxybenzylchloride,benzene,4-chloromethyl-2-fluoro-1-methoxy,benzene, 4-chloromethyl-2-fluoro-1-methoxy,4-chloromethyl-2-fluorophenyl methyl ether,4-chloromethyl-2-fluoro-1-methoxy-benzene,3-fluor-4-methoxy-benzylchlorid,4-chloromethyl-2-fluoroanisole,3-fluoro-4-methoxy benzyl chloride |
| IUPAC Name | 4-(chloromethyl)-2-fluoro-1-methoxybenzene |
| InChI Key | DDAXEANMRGIVDY-UHFFFAOYSA-N |
| Molecular Formula | C8H8ClFO |