Benzenoids
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4-Nitrobenzophenone 99.0+%, TCI America™
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CAS: 1144-74-7 Molecular Formula: C13H9NO3 Molecular Weight (g/mol): 227.22 MDL Number: MFCD00007354 InChI Key: ZYMCBJWUWHHVRX-UHFFFAOYSA-N Synonym: 4-nitrobenzophenone,p-nitrobenzophenone,4-nitrophenyl phenyl methanone,benzophenone, 4-nitro,methanone, 4-nitrophenyl phenyl,4-nitrophenyl phenyl ketone,4-nitrophenyl-phenylmethanone,4-nitrophenyl-phenyl-methanone,4-nitro-benzophenone PubChem CID: 70839 IUPAC Name: (4-nitrophenyl)(phenyl)methanone SMILES: [O-][N+](=O)C1=CC=C(C=C1)C(=O)C1=CC=CC=C1
| PubChem CID | 70839 |
|---|---|
| CAS | 1144-74-7 |
| Molecular Weight (g/mol) | 227.22 |
| MDL Number | MFCD00007354 |
| SMILES | [O-][N+](=O)C1=CC=C(C=C1)C(=O)C1=CC=CC=C1 |
| Synonym | 4-nitrobenzophenone,p-nitrobenzophenone,4-nitrophenyl phenyl methanone,benzophenone, 4-nitro,methanone, 4-nitrophenyl phenyl,4-nitrophenyl phenyl ketone,4-nitrophenyl-phenylmethanone,4-nitrophenyl-phenyl-methanone,4-nitro-benzophenone |
| IUPAC Name | (4-nitrophenyl)(phenyl)methanone |
| InChI Key | ZYMCBJWUWHHVRX-UHFFFAOYSA-N |
| Molecular Formula | C13H9NO3 |
3-Bromo-4-chloroaniline 98.0+%, TCI America™
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CAS: 823-54-1 Molecular Formula: C6H5BrClN Molecular Weight (g/mol): 206.47 MDL Number: MFCD00173905 InChI Key: FVZODFVCIDBDGS-UHFFFAOYSA-N Synonym: benzenamine, 3-bromo-4-chloro,3-bromo-4-chloro-phenylamine,pubchem5307,acmc-209pod,3-bromo-4-chlorobenzenamine,ksc493g6f,3-bromanyl-4-chloranyl-aniline PubChem CID: 12843722 IUPAC Name: 3-bromo-4-chloroaniline SMILES: NC1=CC(Br)=C(Cl)C=C1
| PubChem CID | 12843722 |
|---|---|
| CAS | 823-54-1 |
| Molecular Weight (g/mol) | 206.47 |
| MDL Number | MFCD00173905 |
| SMILES | NC1=CC(Br)=C(Cl)C=C1 |
| Synonym | benzenamine, 3-bromo-4-chloro,3-bromo-4-chloro-phenylamine,pubchem5307,acmc-209pod,3-bromo-4-chlorobenzenamine,ksc493g6f,3-bromanyl-4-chloranyl-aniline |
| IUPAC Name | 3-bromo-4-chloroaniline |
| InChI Key | FVZODFVCIDBDGS-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrClN |
1-Nitro-3,5-bis(trifluoromethyl)benzene 97.0+%, TCI America™
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CAS: 328-75-6 Molecular Formula: C8H3F6NO2 Molecular Weight (g/mol): 259.11 MDL Number: MFCD00000384 InChI Key: GMUWJDVVXLBMEZ-UHFFFAOYSA-N Synonym: 1-nitro-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl nitrobenzene,1,3-bis trifluoromethyl-5-nitrobenzene,3,5-di trifluoromethyl nitrobenzene,benzene, 1-nitro-3,5-bis trifluoromethyl,3,5-bis-trifluoromethylnitrobenzene,3,5-di trifluoromethylnitro benzene,3,5-bis-trifluoromethyl nitrobenzene,5-nitro-1,3-bis trifluoromethyl benzene,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-5-nitroxylene PubChem CID: 67603 IUPAC Name: 1-nitro-3,5-bis(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 67603 |
|---|---|
| CAS | 328-75-6 |
| Molecular Weight (g/mol) | 259.11 |
| MDL Number | MFCD00000384 |
| SMILES | [O-][N+](=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 1-nitro-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl nitrobenzene,1,3-bis trifluoromethyl-5-nitrobenzene,3,5-di trifluoromethyl nitrobenzene,benzene, 1-nitro-3,5-bis trifluoromethyl,3,5-bis-trifluoromethylnitrobenzene,3,5-di trifluoromethylnitro benzene,3,5-bis-trifluoromethyl nitrobenzene,5-nitro-1,3-bis trifluoromethyl benzene,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-5-nitroxylene |
| IUPAC Name | 1-nitro-3,5-bis(trifluoromethyl)benzene |
| InChI Key | GMUWJDVVXLBMEZ-UHFFFAOYSA-N |
| Molecular Formula | C8H3F6NO2 |
2,6-Dimethoxybenzoic Acid 98.0+%, TCI America™
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CAS: 1466-76-8 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002437 InChI Key: MBIZFBDREVRUHY-UHFFFAOYSA-N Synonym: benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043 PubChem CID: 15109 IUPAC Name: 2,6-dimethoxybenzoic acid SMILES: COC1=CC=CC(OC)=C1C(O)=O
| PubChem CID | 15109 |
|---|---|
| CAS | 1466-76-8 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00002437 |
| SMILES | COC1=CC=CC(OC)=C1C(O)=O |
| Synonym | benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043 |
| IUPAC Name | 2,6-dimethoxybenzoic acid |
| InChI Key | MBIZFBDREVRUHY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
Difluoromethyl Phenyl Sulfide 98.0+%, TCI America™
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CAS: 1535-67-7 Molecular Formula: C7H6F2S Molecular Weight (g/mol): 160.18 MDL Number: MFCD16301013 InChI Key: KDNBCPHMQJEQLV-UHFFFAOYSA-N Synonym: (Difluoromethylthio)benzene, alpha,alpha-Difluorothioanisole PubChem CID: 73752 IUPAC Name: [(difluoromethyl)sulfanyl]benzene SMILES: FC(F)SC1=CC=CC=C1
| PubChem CID | 73752 |
|---|---|
| CAS | 1535-67-7 |
| Molecular Weight (g/mol) | 160.18 |
| MDL Number | MFCD16301013 |
| SMILES | FC(F)SC1=CC=CC=C1 |
| Synonym | (Difluoromethylthio)benzene, alpha,alpha-Difluorothioanisole |
| IUPAC Name | [(difluoromethyl)sulfanyl]benzene |
| InChI Key | KDNBCPHMQJEQLV-UHFFFAOYSA-N |
| Molecular Formula | C7H6F2S |
4-(Difluoromethoxy)benzyl Bromide 98.0+%, TCI America™
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CAS: 3447-53-8 Molecular Formula: C8H7BrF2O Molecular Weight (g/mol): 237.04 MDL Number: MFCD00085007 InChI Key: IFNMJBFIRKAQBT-UHFFFAOYSA-N Synonym: 1-bromomethyl-4-difluoromethoxy benzene,4-difluoromethoxy benzyl bromide,4-difluoromethoxybenzyl bromide,4-difluoromethoxy benzylbromide,p-difluoromethoxy benzyl bromide,benzene, 1-bromomethyl-4-difluoromethoxy,1-bromomethyl-4-difluoromethoxy-benzene,4-bromomethyl phenoxy difluoromethane,acmc-1aezp,p-difluoromethoxybenzylbromide PubChem CID: 2737001 IUPAC Name: 1-(bromomethyl)-4-(difluoromethoxy)benzene SMILES: FC(F)OC1=CC=C(CBr)C=C1
| PubChem CID | 2737001 |
|---|---|
| CAS | 3447-53-8 |
| Molecular Weight (g/mol) | 237.04 |
| MDL Number | MFCD00085007 |
| SMILES | FC(F)OC1=CC=C(CBr)C=C1 |
| Synonym | 1-bromomethyl-4-difluoromethoxy benzene,4-difluoromethoxy benzyl bromide,4-difluoromethoxybenzyl bromide,4-difluoromethoxy benzylbromide,p-difluoromethoxy benzyl bromide,benzene, 1-bromomethyl-4-difluoromethoxy,1-bromomethyl-4-difluoromethoxy-benzene,4-bromomethyl phenoxy difluoromethane,acmc-1aezp,p-difluoromethoxybenzylbromide |
| IUPAC Name | 1-(bromomethyl)-4-(difluoromethoxy)benzene |
| InChI Key | IFNMJBFIRKAQBT-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrF2O |
2-Chloro-4-(trifluoromethyl)benzenesulfonyl Chloride 98.0+%, TCI America™
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CAS: 175205-54-6 Molecular Formula: C7H3Cl2F3O2S Molecular Weight (g/mol): 279.05 MDL Number: MFCD00052912 InChI Key: NJXDBSSSDPOAFI-UHFFFAOYSA-N Synonym: 2-chloro-4-trifluoromethyl benzene-1-sulfonyl chloride,2-chloro-4-trifluoromethyl benzenesulfonyl chloride,2-chloro-4-trifluoromethyl benzenesulphonylchloride,2-chloro-4-trifluoromethyl benzenesulphonyl chloride,2-chloro-4-trifluoromethyl benzenesulfonylchloride,2-chloro-4-trifluoromethyl benzenesulfonyl,2-chloro-4-trifluoromethyl-benzenesulfonyl chloride,benzenesulfonyl chloride, 2-chloro-4-trifluoromethyl,pubchem5104,acmc-1bwmt PubChem CID: 2736675 IUPAC Name: 2-chloro-4-(trifluoromethyl)benzene-1-sulfonyl chloride SMILES: FC(F)(F)C1=CC(Cl)=C(C=C1)S(Cl)(=O)=O
| PubChem CID | 2736675 |
|---|---|
| CAS | 175205-54-6 |
| Molecular Weight (g/mol) | 279.05 |
| MDL Number | MFCD00052912 |
| SMILES | FC(F)(F)C1=CC(Cl)=C(C=C1)S(Cl)(=O)=O |
| Synonym | 2-chloro-4-trifluoromethyl benzene-1-sulfonyl chloride,2-chloro-4-trifluoromethyl benzenesulfonyl chloride,2-chloro-4-trifluoromethyl benzenesulphonylchloride,2-chloro-4-trifluoromethyl benzenesulphonyl chloride,2-chloro-4-trifluoromethyl benzenesulfonylchloride,2-chloro-4-trifluoromethyl benzenesulfonyl,2-chloro-4-trifluoromethyl-benzenesulfonyl chloride,benzenesulfonyl chloride, 2-chloro-4-trifluoromethyl,pubchem5104,acmc-1bwmt |
| IUPAC Name | 2-chloro-4-(trifluoromethyl)benzene-1-sulfonyl chloride |
| InChI Key | NJXDBSSSDPOAFI-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl2F3O2S |
4-(2,5-Dioxotetrahydrofuran-3-yl)-1,2,3,4-tetrahydronaphthalene-1,2-dicarboxylic Anhydride 97.0+%, TCI America™
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CAS: 13912-65-7 Molecular Formula: C16H12O6 Molecular Weight (g/mol): 300.266 MDL Number: MFCD00030105 InChI Key: JYCTWJFSRDBYJX-UHFFFAOYSA-N Synonym: 4-(2,5-Dioxotetrahydrofuran-3-yl)-tetralin-1,2-dicarboxylic Anhydride PubChem CID: 85657 IUPAC Name: 5-(2,5-dioxooxolan-3-yl)-3a,4,5,9b-tetrahydrobenzo[e][2]benzofuran-1,3-dione SMILES: C1C(C2=CC=CC=C2C3C1C(=O)OC3=O)C4CC(=O)OC4=O
| PubChem CID | 85657 |
|---|---|
| CAS | 13912-65-7 |
| Molecular Weight (g/mol) | 300.266 |
| MDL Number | MFCD00030105 |
| SMILES | C1C(C2=CC=CC=C2C3C1C(=O)OC3=O)C4CC(=O)OC4=O |
| Synonym | 4-(2,5-Dioxotetrahydrofuran-3-yl)-tetralin-1,2-dicarboxylic Anhydride |
| IUPAC Name | 5-(2,5-dioxooxolan-3-yl)-3a,4,5,9b-tetrahydrobenzo[e][2]benzofuran-1,3-dione |
| InChI Key | JYCTWJFSRDBYJX-UHFFFAOYSA-N |
| Molecular Formula | C16H12O6 |
4-Phenoxyaniline 98.0+%, TCI America™
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CAS: 139-59-3 Molecular Formula: C12H11NO Molecular Weight (g/mol): 185.226 MDL Number: MFCD00007862 InChI Key: WOYZXEVUWXQVNV-UHFFFAOYSA-N Synonym: p-phenoxyaniline,4-aminodiphenyl ether,benzenamine, 4-phenoxy,4-phenoxybenzenamine,4-aminophenyl phenyl ether,4-aminodifenylether,4-amino-1-phenoxybenzene,aniline, p-phenoxy,4-aminobiphenyl ether,4-aminodiphenylether PubChem CID: 8764 IUPAC Name: 4-phenoxyaniline SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)N
| PubChem CID | 8764 |
|---|---|
| CAS | 139-59-3 |
| Molecular Weight (g/mol) | 185.226 |
| MDL Number | MFCD00007862 |
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)N |
| Synonym | p-phenoxyaniline,4-aminodiphenyl ether,benzenamine, 4-phenoxy,4-phenoxybenzenamine,4-aminophenyl phenyl ether,4-aminodifenylether,4-amino-1-phenoxybenzene,aniline, p-phenoxy,4-aminobiphenyl ether,4-aminodiphenylether |
| IUPAC Name | 4-phenoxyaniline |
| InChI Key | WOYZXEVUWXQVNV-UHFFFAOYSA-N |
| Molecular Formula | C12H11NO |
p-Acetanisidide 98.0+%, TCI America™
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CAS: 51-66-1 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00014963 InChI Key: XVAIDCNLVLTVFM-UHFFFAOYSA-N Synonym: n-4-methoxyphenyl acetamide,4'-methoxyacetanilide,p-methoxyacetanilide,p-acetanisidide,p-acetanisidine,methacetin,4-methoxyacetanilide,aceto-p-anisidide,n-acetyl-p-anisidine,acetamide, n-4-methoxyphenyl PubChem CID: 5827 IUPAC Name: N-(4-methoxyphenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)OC
| PubChem CID | 5827 |
|---|---|
| CAS | 51-66-1 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00014963 |
| SMILES | CC(=O)NC1=CC=C(C=C1)OC |
| Synonym | n-4-methoxyphenyl acetamide,4'-methoxyacetanilide,p-methoxyacetanilide,p-acetanisidide,p-acetanisidine,methacetin,4-methoxyacetanilide,aceto-p-anisidide,n-acetyl-p-anisidine,acetamide, n-4-methoxyphenyl |
| IUPAC Name | N-(4-methoxyphenyl)acetamide |
| InChI Key | XVAIDCNLVLTVFM-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
2-Bromo-3-fluorobenzoic Acid 96.0+%, TCI America™
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CAS: 132715-69-6 Molecular Formula: C7H4BrFO2 Molecular Weight (g/mol): 219.009 MDL Number: MFCD01569398 InChI Key: KQRCBMPPEPNNDS-UHFFFAOYSA-N Synonym: 3-fluoro-2-bromobenzoic acid,2-bromo-3-fluorobenzoicacid,2-bromo-3-fluoro-benzoic acid,buttpark 22\01-97,benzoic acid, 2-bromo-3-fluoro,pubchem1319,2-bromo-3-fluorobenzoic,acmc-1c0re,intermediates-zcf02016,ksc174c5p PubChem CID: 302622 IUPAC Name: 2-bromo-3-fluorobenzoic acid SMILES: C1=CC(=C(C(=C1)F)Br)C(=O)O
| PubChem CID | 302622 |
|---|---|
| CAS | 132715-69-6 |
| Molecular Weight (g/mol) | 219.009 |
| MDL Number | MFCD01569398 |
| SMILES | C1=CC(=C(C(=C1)F)Br)C(=O)O |
| Synonym | 3-fluoro-2-bromobenzoic acid,2-bromo-3-fluorobenzoicacid,2-bromo-3-fluoro-benzoic acid,buttpark 22\01-97,benzoic acid, 2-bromo-3-fluoro,pubchem1319,2-bromo-3-fluorobenzoic,acmc-1c0re,intermediates-zcf02016,ksc174c5p |
| IUPAC Name | 2-bromo-3-fluorobenzoic acid |
| InChI Key | KQRCBMPPEPNNDS-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO2 |
2,7-Dibromo-9-phenyl-9H-fluoren-9-ol 98.0+%, TCI America™
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CAS: 132717-37-4 Molecular Formula: C19H12Br2O Molecular Weight (g/mol): 416.112 MDL Number: MFCD09953789 InChI Key: VGZUBRZNTWOSTO-UHFFFAOYSA-N Synonym: 2,7-Dibromo-9-hydroxy-9-phenyl-9H-fluorene PubChem CID: 22117546 IUPAC Name: 2,7-dibromo-9-phenylfluoren-9-ol SMILES: C1=CC=C(C=C1)C2(C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br)O
| PubChem CID | 22117546 |
|---|---|
| CAS | 132717-37-4 |
| Molecular Weight (g/mol) | 416.112 |
| MDL Number | MFCD09953789 |
| SMILES | C1=CC=C(C=C1)C2(C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br)O |
| Synonym | 2,7-Dibromo-9-hydroxy-9-phenyl-9H-fluorene |
| IUPAC Name | 2,7-dibromo-9-phenylfluoren-9-ol |
| InChI Key | VGZUBRZNTWOSTO-UHFFFAOYSA-N |
| Molecular Formula | C19H12Br2O |
4-tert-Butylbenzenesulfonamide 98.0+%, TCI America™
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CAS: 6292-59-7 Molecular Formula: C10H15NO2S Molecular Weight (g/mol): 213.295 MDL Number: MFCD00068599 InChI Key: KYDZEZNYRFJCSA-UHFFFAOYSA-N PubChem CID: 222872 IUPAC Name: 4-tert-butylbenzenesulfonamide SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N
| PubChem CID | 222872 |
|---|---|
| CAS | 6292-59-7 |
| Molecular Weight (g/mol) | 213.295 |
| MDL Number | MFCD00068599 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N |
| IUPAC Name | 4-tert-butylbenzenesulfonamide |
| InChI Key | KYDZEZNYRFJCSA-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO2S |
2-Chlorobenzylamine 98.0+%, TCI America™
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CAS: 89-97-4 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.598 MDL Number: MFCD00008108 InChI Key: KDDNKZCVYQDGKE-UHFFFAOYSA-N Synonym: 2-chlorobenzylamine,2-chlorophenyl methanamine,o-chlorobenzylamine,benzenemethanamine, 2-chloro,o-chlorobenzyl amine,2-chlorobenzenemethanamine,2-chloro-benzylamine,benzylamine, o-chloro,2-chlorophenyl methylamine,unii-l790j4y7a3 PubChem CID: 66648 IUPAC Name: (2-chlorophenyl)methanamine SMILES: C1=CC=C(C(=C1)CN)Cl
| PubChem CID | 66648 |
|---|---|
| CAS | 89-97-4 |
| Molecular Weight (g/mol) | 141.598 |
| MDL Number | MFCD00008108 |
| SMILES | C1=CC=C(C(=C1)CN)Cl |
| Synonym | 2-chlorobenzylamine,2-chlorophenyl methanamine,o-chlorobenzylamine,benzenemethanamine, 2-chloro,o-chlorobenzyl amine,2-chlorobenzenemethanamine,2-chloro-benzylamine,benzylamine, o-chloro,2-chlorophenyl methylamine,unii-l790j4y7a3 |
| IUPAC Name | (2-chlorophenyl)methanamine |
| InChI Key | KDDNKZCVYQDGKE-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClN |
4-tert-Butylbenzyl Alcohol 97.0+%, TCI America™
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CAS: 877-65-6 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.248 MDL Number: MFCD00004662 InChI Key: FVEINXLJOJPHLH-UHFFFAOYSA-N Synonym: 4-tert-butylbenzyl alcohol,4-tert-butyl phenyl methanol,4-tert-butylphenyl methanol,4-t-butylbenzyl alcohol,p-tert-butylbenzyl alcohol,4-t-butylbenzylalcohol,benzenemethanol, 4-1,1-dimethylethyl,4-1,1-dimethylethyl benzenemethanol,4-tert-butylbenzylalcohol,p-t-butylbenzyl alcohol PubChem CID: 13416 IUPAC Name: (4-tert-butylphenyl)methanol SMILES: CC(C)(C)C1=CC=C(C=C1)CO
| PubChem CID | 13416 |
|---|---|
| CAS | 877-65-6 |
| Molecular Weight (g/mol) | 164.248 |
| MDL Number | MFCD00004662 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)CO |
| Synonym | 4-tert-butylbenzyl alcohol,4-tert-butyl phenyl methanol,4-tert-butylphenyl methanol,4-t-butylbenzyl alcohol,p-tert-butylbenzyl alcohol,4-t-butylbenzylalcohol,benzenemethanol, 4-1,1-dimethylethyl,4-1,1-dimethylethyl benzenemethanol,4-tert-butylbenzylalcohol,p-t-butylbenzyl alcohol |
| IUPAC Name | (4-tert-butylphenyl)methanol |
| InChI Key | FVEINXLJOJPHLH-UHFFFAOYSA-N |
| Molecular Formula | C11H16O |