Benzenoids
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Benz[a]anthracene 98.0+%, TCI America™
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CAS: 56-55-3 Molecular Formula: C18H12 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00003599 InChI Key: DXBHBZVCASKNBY-UHFFFAOYSA-N Synonym: benz a anthracene,tetraphene,1,2-benzanthracene,benzanthrene,benzo a anthracene,benzanthracene,naphthanthracene,2,3-benzphenanthrene,benzoanthracene PubChem CID: 5954 ChEBI: CHEBI:51348 IUPAC Name: tetraphene SMILES: C1=CC=C2C=C3C(C=CC4=CC=CC=C34)=CC2=C1
| PubChem CID | 5954 |
|---|---|
| CAS | 56-55-3 |
| Molecular Weight (g/mol) | 228.29 |
| ChEBI | CHEBI:51348 |
| MDL Number | MFCD00003599 |
| SMILES | C1=CC=C2C=C3C(C=CC4=CC=CC=C34)=CC2=C1 |
| Synonym | benz a anthracene,tetraphene,1,2-benzanthracene,benzanthrene,benzo a anthracene,benzanthracene,naphthanthracene,2,3-benzphenanthrene,benzoanthracene |
| IUPAC Name | tetraphene |
| InChI Key | DXBHBZVCASKNBY-UHFFFAOYSA-N |
| Molecular Formula | C18H12 |
Ospemifene 98.0+%, TCI America™
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CAS: 128607-22-7 Molecular Formula: C24H23ClO2 Molecular Weight (g/mol): 378.896 MDL Number: MFCD00871890 InChI Key: LUMKNAVTFCDUIE-VHXPQNKSSA-N PubChem CID: 3036505 ChEBI: CHEBI:73275 IUPAC Name: 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol SMILES: C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)OCCO)CCCl
| PubChem CID | 3036505 |
|---|---|
| CAS | 128607-22-7 |
| Molecular Weight (g/mol) | 378.896 |
| ChEBI | CHEBI:73275 |
| MDL Number | MFCD00871890 |
| SMILES | C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)OCCO)CCCl |
| IUPAC Name | 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol |
| InChI Key | LUMKNAVTFCDUIE-VHXPQNKSSA-N |
| Molecular Formula | C24H23ClO2 |
3,5-Di-tert-butyl-4-hydroxybenzoic Acid 98.0+%, TCI America™
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CAS: 1421-49-4 Molecular Formula: C30H42NiO6 Molecular Weight (g/mol): 557.35 MDL Number: MFCD00008827 InChI Key: VIUVLVWUWLHYGT-UHFFFAOYSA-L Synonym: 3,5-di-tert-butyl-4-hydroxybenzoic acid,benzoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy,unii-9f0i7yag34,3,5-di-t-butyl-4-hydroxybenzoic acid,3,5-bis-tert-butyl-4-hydroxybenzoic acid,benzoic acid, 3,5-di-tert-butyl-4-hydroxy,3,5-di tert-butyl-4-hydroxybenzoic acid,3,5-di-tert-butyl-4-hydroxy benzoic acid,3,5-bis tert-butyl-4-hydroxybenzoic acid,pubchem15681 PubChem CID: 15007 IUPAC Name: nickel(2+) bis(3,5-di-tert-butyl-4-hydroxybenzoate) SMILES: [Ni++].CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C([O-])=O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C([O-])=O
| PubChem CID | 15007 |
|---|---|
| CAS | 1421-49-4 |
| Molecular Weight (g/mol) | 557.35 |
| MDL Number | MFCD00008827 |
| SMILES | [Ni++].CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C([O-])=O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C([O-])=O |
| Synonym | 3,5-di-tert-butyl-4-hydroxybenzoic acid,benzoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy,unii-9f0i7yag34,3,5-di-t-butyl-4-hydroxybenzoic acid,3,5-bis-tert-butyl-4-hydroxybenzoic acid,benzoic acid, 3,5-di-tert-butyl-4-hydroxy,3,5-di tert-butyl-4-hydroxybenzoic acid,3,5-di-tert-butyl-4-hydroxy benzoic acid,3,5-bis tert-butyl-4-hydroxybenzoic acid,pubchem15681 |
| IUPAC Name | nickel(2+) bis(3,5-di-tert-butyl-4-hydroxybenzoate) |
| InChI Key | VIUVLVWUWLHYGT-UHFFFAOYSA-L |
| Molecular Formula | C30H42NiO6 |
Carbinoxamine Maleate 98.0+%, TCI America™
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CAS: 3505-38-2 Molecular Formula: C20H23ClN2O5 Molecular Weight (g/mol): 406.863 MDL Number: MFCD00082461 InChI Key: GVNWHCVWDRNXAZ-BTJKTKAUSA-N PubChem CID: 5282409 ChEBI: CHEBI:31353 IUPAC Name: (Z)-but-2-enedioic acid;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine SMILES: CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O
| PubChem CID | 5282409 |
|---|---|
| CAS | 3505-38-2 |
| Molecular Weight (g/mol) | 406.863 |
| ChEBI | CHEBI:31353 |
| MDL Number | MFCD00082461 |
| SMILES | CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O |
| IUPAC Name | (Z)-but-2-enedioic acid;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine |
| InChI Key | GVNWHCVWDRNXAZ-BTJKTKAUSA-N |
| Molecular Formula | C20H23ClN2O5 |
4-Methoxybenzyl 2,2,2-Trichloroacetimidate 96.0+%, TCI America™
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CAS: 89238-99-3 Molecular Formula: C10H10Cl3NO2 Molecular Weight (g/mol): 282.545 MDL Number: MFCD00134547 InChI Key: TYHGKLBJBHACOI-UHFFFAOYSA-N Synonym: 2,2,2-Trichloroacetimidic Acid 4-Methoxybenzyl Ester PubChem CID: 11087263 IUPAC Name: (4-methoxyphenyl)methyl 2,2,2-trichloroethanimidate SMILES: COC1=CC=C(C=C1)COC(=N)C(Cl)(Cl)Cl
| PubChem CID | 11087263 |
|---|---|
| CAS | 89238-99-3 |
| Molecular Weight (g/mol) | 282.545 |
| MDL Number | MFCD00134547 |
| SMILES | COC1=CC=C(C=C1)COC(=N)C(Cl)(Cl)Cl |
| Synonym | 2,2,2-Trichloroacetimidic Acid 4-Methoxybenzyl Ester |
| IUPAC Name | (4-methoxyphenyl)methyl 2,2,2-trichloroethanimidate |
| InChI Key | TYHGKLBJBHACOI-UHFFFAOYSA-N |
| Molecular Formula | C10H10Cl3NO2 |
2-Nitrophenol 98.0+%, TCI America™
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CAS: 88-75-5 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00011688 InChI Key: IQUPABOKLQSFBK-UHFFFAOYSA-N Synonym: o-nitrophenol,2-hydroxynitrobenzene,phenol, 2-nitro,o-hydroxynitrobenzene,phenol, o-nitro,nitrophenol,o-nitrofenol,ortho-nitrophenol,phenol, nitro,o-nitrofenol czech PubChem CID: 6947 ChEBI: CHEBI:16260 IUPAC Name: 2-nitrophenol SMILES: OC1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 6947 |
|---|---|
| CAS | 88-75-5 |
| Molecular Weight (g/mol) | 139.11 |
| ChEBI | CHEBI:16260 |
| MDL Number | MFCD00011688 |
| SMILES | OC1=CC=CC=C1[N+]([O-])=O |
| Synonym | o-nitrophenol,2-hydroxynitrobenzene,phenol, 2-nitro,o-hydroxynitrobenzene,phenol, o-nitro,nitrophenol,o-nitrofenol,ortho-nitrophenol,phenol, nitro,o-nitrofenol czech |
| IUPAC Name | 2-nitrophenol |
| InChI Key | IQUPABOKLQSFBK-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO3 |
4-Nonylphenol (mixture of branched chain isomers), TCI America™
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CAS: 84852-15-3 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.356 MDL Number: MFCD00002396 InChI Key: SNQQPOLDUKLAAF-UHFFFAOYSA-N Synonym: phenol, 2-nonyl,nonyl phenol,o-nonylphenol,nonyl,phenol,nonyl,2-n-nonyl-phenol,ortho-n-nonyl-phenol,acmc-209t6o,bidd:er0079,nonylphenol, mixture of isomers PubChem CID: 67296 IUPAC Name: 2-nonylphenol SMILES: CCCCCCCCCC1=CC=CC=C1O
| PubChem CID | 67296 |
|---|---|
| CAS | 84852-15-3 |
| Molecular Weight (g/mol) | 220.356 |
| MDL Number | MFCD00002396 |
| SMILES | CCCCCCCCCC1=CC=CC=C1O |
| Synonym | phenol, 2-nonyl,nonyl phenol,o-nonylphenol,nonyl,phenol,nonyl,2-n-nonyl-phenol,ortho-n-nonyl-phenol,acmc-209t6o,bidd:er0079,nonylphenol, mixture of isomers |
| IUPAC Name | 2-nonylphenol |
| InChI Key | SNQQPOLDUKLAAF-UHFFFAOYSA-N |
| Molecular Formula | C15H24O |
Methyl 2-Fluorobenzoate 98.0+%, TCI America™
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CAS: 394-35-4 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00017913 InChI Key: QAFJIJWLEBLXHH-UHFFFAOYSA-N Synonym: methyl o-fluorobenzoate,methyl-2-fluorobenzoate,2-fluorobenzoic acid methyl ester,benzoic acid, 2-fluoro-, methyl ester,o-fluorobenzoic acid, methyl ester,benzoic acid, o-fluoro-, methyl ester,2-fluoro-benzoic acid methyl ester,methyl2-fluorobenzoate,pubchem3565,acmc-209j5e PubChem CID: 67854 IUPAC Name: methyl 2-fluorobenzoate SMILES: COC(=O)C1=CC=CC=C1F
| PubChem CID | 67854 |
|---|---|
| CAS | 394-35-4 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00017913 |
| SMILES | COC(=O)C1=CC=CC=C1F |
| Synonym | methyl o-fluorobenzoate,methyl-2-fluorobenzoate,2-fluorobenzoic acid methyl ester,benzoic acid, 2-fluoro-, methyl ester,o-fluorobenzoic acid, methyl ester,benzoic acid, o-fluoro-, methyl ester,2-fluoro-benzoic acid methyl ester,methyl2-fluorobenzoate,pubchem3565,acmc-209j5e |
| IUPAC Name | methyl 2-fluorobenzoate |
| InChI Key | QAFJIJWLEBLXHH-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
p-Toluenesulfonamide 98.0+%, TCI America™
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CAS: 70-55-3 Molecular Formula: C7H9NO2S Molecular Weight (g/mol): 171.214 MDL Number: MFCD00011692 InChI Key: LMYRWZFENFIFIT-UHFFFAOYSA-N Synonym: p-toluenesulfonamide,4-toluenesulfonamide,tosylamide,p-tosylamide,benzenesulfonamide, 4-methyl,p-tolylsulfonamide,toluene-4-sulfonamide,tolylsulfonamide,4-methylbenzene-1-sulfonamide,p-toluenesulfamide PubChem CID: 6269 ChEBI: CHEBI:34435 IUPAC Name: 4-methylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N
| PubChem CID | 6269 |
|---|---|
| CAS | 70-55-3 |
| Molecular Weight (g/mol) | 171.214 |
| ChEBI | CHEBI:34435 |
| MDL Number | MFCD00011692 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N |
| Synonym | p-toluenesulfonamide,4-toluenesulfonamide,tosylamide,p-tosylamide,benzenesulfonamide, 4-methyl,p-tolylsulfonamide,toluene-4-sulfonamide,tolylsulfonamide,4-methylbenzene-1-sulfonamide,p-toluenesulfamide |
| IUPAC Name | 4-methylbenzenesulfonamide |
| InChI Key | LMYRWZFENFIFIT-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO2S |
3,5-Difluorobenzoic Acid 98.0+%, TCI America™
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CAS: 455-40-3 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.104 MDL Number: MFCD00010323 InChI Key: GONAVIHGXFBTOZ-UHFFFAOYSA-N Synonym: 3,5-difluorobenzoicacid,benzoic acid, 3,5-difluoro,pubchem2173,3,5 difluorobenzoic acid,3,5-difluoro benzoicacid,acmc-209k3a,3,5 difluoro benzoic acid,3,5-di-fluorobenzoic acid,3,5-difluoro-benzoic acid PubChem CID: 101265 IUPAC Name: 3,5-difluorobenzoic acid SMILES: C1=C(C=C(C=C1F)F)C(=O)O
| PubChem CID | 101265 |
|---|---|
| CAS | 455-40-3 |
| Molecular Weight (g/mol) | 158.104 |
| MDL Number | MFCD00010323 |
| SMILES | C1=C(C=C(C=C1F)F)C(=O)O |
| Synonym | 3,5-difluorobenzoicacid,benzoic acid, 3,5-difluoro,pubchem2173,3,5 difluorobenzoic acid,3,5-difluoro benzoicacid,acmc-209k3a,3,5 difluoro benzoic acid,3,5-di-fluorobenzoic acid,3,5-difluoro-benzoic acid |
| IUPAC Name | 3,5-difluorobenzoic acid |
| InChI Key | GONAVIHGXFBTOZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O2 |
9-Fluorenylmethyl Chloroformate 97.0+%, TCI America™
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CAS: 28920-43-6 Molecular Formula: C15H11ClO2 Molecular Weight (g/mol): 258.701 MDL Number: MFCD00001138 InChI Key: IRXSLJNXXZKURP-UHFFFAOYSA-N Synonym: 9-fluorenylmethyl chloroformate,fmoc-cl,fmoc-chloride,fmoc chloride,9h-fluoren-9-ylmethyl chloroformate,carbonochloridic acid, 9h-fluoren-9-ylmethyl ester,9-fluorenylmethoxycarbonyl chloride,9-fluorenylmethylchloroformate,9h-fluoren-9-yl methyl carbonochloridate,9h-fluoren-9-ylmethoxy carbonyl chloride PubChem CID: 34367 IUPAC Name: 9H-fluoren-9-ylmethyl carbonochloridate SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)Cl
| PubChem CID | 34367 |
|---|---|
| CAS | 28920-43-6 |
| Molecular Weight (g/mol) | 258.701 |
| MDL Number | MFCD00001138 |
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)Cl |
| Synonym | 9-fluorenylmethyl chloroformate,fmoc-cl,fmoc-chloride,fmoc chloride,9h-fluoren-9-ylmethyl chloroformate,carbonochloridic acid, 9h-fluoren-9-ylmethyl ester,9-fluorenylmethoxycarbonyl chloride,9-fluorenylmethylchloroformate,9h-fluoren-9-yl methyl carbonochloridate,9h-fluoren-9-ylmethoxy carbonyl chloride |
| IUPAC Name | 9H-fluoren-9-ylmethyl carbonochloridate |
| InChI Key | IRXSLJNXXZKURP-UHFFFAOYSA-N |
| Molecular Formula | C15H11ClO2 |
4-Nitrobenzaldehyde 98.0+%, TCI America™
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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 |
2-(Trifluoromethyl)benzaldehyde 97.0+%, TCI America™
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CAS: 447-61-0 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.122 MDL Number: MFCD00003337 InChI Key: ZDVRPKUWYQVVDX-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzaldehyde,o-trifluoromethyl benzaldehyde,o-trifluoromethylbenzaldehyde,alpha,alpha,alpha-trifluoro-o-tolualdehyde,benzaldehyde, 2-trifluoromethyl,2-trifluoromethyl-benzaldehyde,ortho-trifluoromethyl-benzaldehyde,otf-bad,trifluoromethylbenzaldehyde PubChem CID: 123067 IUPAC Name: 2-(trifluoromethyl)benzaldehyde SMILES: C1=CC=C(C(=C1)C=O)C(F)(F)F
| PubChem CID | 123067 |
|---|---|
| CAS | 447-61-0 |
| Molecular Weight (g/mol) | 174.122 |
| MDL Number | MFCD00003337 |
| SMILES | C1=CC=C(C(=C1)C=O)C(F)(F)F |
| Synonym | 2-trifluoromethyl benzaldehyde,o-trifluoromethyl benzaldehyde,o-trifluoromethylbenzaldehyde,alpha,alpha,alpha-trifluoro-o-tolualdehyde,benzaldehyde, 2-trifluoromethyl,2-trifluoromethyl-benzaldehyde,ortho-trifluoromethyl-benzaldehyde,otf-bad,trifluoromethylbenzaldehyde |
| IUPAC Name | 2-(trifluoromethyl)benzaldehyde |
| InChI Key | ZDVRPKUWYQVVDX-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O |
2-(2-Hydroxy-5-methylphenyl)benzotriazole 99.0+%, TCI America™
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CAS: 2440-22-4 Molecular Formula: C13H11N3O Molecular Weight (g/mol): 225.251 MDL Number: MFCD00022903 InChI Key: MCPKSFINULVDNX-UHFFFAOYSA-N Synonym: drometrizole,benazol p,tinuvin p,2-2-benzotriazolyl-p-cresol,uv absorber-1,2-2-hydroxy-5-methylphenyl benzotriazole,2-2h-benzotriazol-2-yl-p-cresol,2-2h-benzo d 1,2,3 triazol-2-yl-4-methylphenol,tin p,porex p PubChem CID: 17113 IUPAC Name: 2-(benzotriazol-2-yl)-4-methylphenol SMILES: CC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2
| PubChem CID | 17113 |
|---|---|
| CAS | 2440-22-4 |
| Molecular Weight (g/mol) | 225.251 |
| MDL Number | MFCD00022903 |
| SMILES | CC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2 |
| Synonym | drometrizole,benazol p,tinuvin p,2-2-benzotriazolyl-p-cresol,uv absorber-1,2-2-hydroxy-5-methylphenyl benzotriazole,2-2h-benzotriazol-2-yl-p-cresol,2-2h-benzo d 1,2,3 triazol-2-yl-4-methylphenol,tin p,porex p |
| IUPAC Name | 2-(benzotriazol-2-yl)-4-methylphenol |
| InChI Key | MCPKSFINULVDNX-UHFFFAOYSA-N |
| Molecular Formula | C13H11N3O |
N-Methyl-m-toluidine 98.0+%, TCI America™
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CAS: 696-44-6 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.183 MDL Number: MFCD00035787 InChI Key: FBGJJTQNZVNEQU-UHFFFAOYSA-N Synonym: n-methyl-m-toluidine,benzenamine, n,3-dimethyl,3-methylamino toluene,m,n-dimethylaniline,m-toluidine, n-methyl,n-methyl-3-methylaniline,n-3-dimethylbenzenamine,aniline, n,m-dimethyl,3,n-dimethylaniline,n-methyl-3-toluidine PubChem CID: 69675 IUPAC Name: N,3-dimethylaniline SMILES: CC1=CC(=CC=C1)NC
| PubChem CID | 69675 |
|---|---|
| CAS | 696-44-6 |
| Molecular Weight (g/mol) | 121.183 |
| MDL Number | MFCD00035787 |
| SMILES | CC1=CC(=CC=C1)NC |
| Synonym | n-methyl-m-toluidine,benzenamine, n,3-dimethyl,3-methylamino toluene,m,n-dimethylaniline,m-toluidine, n-methyl,n-methyl-3-methylaniline,n-3-dimethylbenzenamine,aniline, n,m-dimethyl,3,n-dimethylaniline,n-methyl-3-toluidine |
| IUPAC Name | N,3-dimethylaniline |
| InChI Key | FBGJJTQNZVNEQU-UHFFFAOYSA-N |
| Molecular Formula | C8H11N |