Benzenoids
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2,3,4-Trifluorobenzonitrile 98.0+%, TCI America™
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CAS: 143879-80-5 Molecular Formula: C7H2F3N Molecular Weight (g/mol): 157.10 MDL Number: MFCD00013288 InChI Key: KTPHYLJFAZNALV-UHFFFAOYSA-N Synonym: 2,3,4-difluorobenzonitrile,benzonitrile, trifluoro,2,3,4-trifluorobenzenecarbonitrile,trifluorobenzonitrile,pubchem1572,acmc-209cri,ksc494g9l,2,3,4-trifluoro benzonitrile,2,3,4-trifluoro-benzonitrile,benzonitrile, 2,3,4-trifluoro PubChem CID: 518936 IUPAC Name: 2,3,4-trifluorobenzonitrile SMILES: FC1=CC=C(C#N)C(F)=C1F
| PubChem CID | 518936 |
|---|---|
| CAS | 143879-80-5 |
| Molecular Weight (g/mol) | 157.10 |
| MDL Number | MFCD00013288 |
| SMILES | FC1=CC=C(C#N)C(F)=C1F |
| Synonym | 2,3,4-difluorobenzonitrile,benzonitrile, trifluoro,2,3,4-trifluorobenzenecarbonitrile,trifluorobenzonitrile,pubchem1572,acmc-209cri,ksc494g9l,2,3,4-trifluoro benzonitrile,2,3,4-trifluoro-benzonitrile,benzonitrile, 2,3,4-trifluoro |
| IUPAC Name | 2,3,4-trifluorobenzonitrile |
| InChI Key | KTPHYLJFAZNALV-UHFFFAOYSA-N |
| Molecular Formula | C7H2F3N |
2-(Trifluoromethoxy)benzyl Bromide 98.0+%, TCI America™
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CAS: 198649-68-2 Molecular Formula: C8H6BrF3O Molecular Weight (g/mol): 255.034 MDL Number: MFCD00236321 InChI Key: TUNSVUOTVLWNQT-UHFFFAOYSA-N Synonym: 2-trifluoromethoxy benzyl bromide,1-bromomethyl-2-trifluoromethoxy benzene,2-trifluoromethoxy benzylbromide,alpha-bromo-2-trifluoromethoxy toluene,2-trifluoromethoxybenzyl bromide,2-trifluoromethoxy-benzyl bromide,benzene, 1-bromomethyl-2-trifluoromethoxy,2-bromomethyl phenoxy trifluoromethane,acmc-1c20t PubChem CID: 2777254 IUPAC Name: 1-(bromomethyl)-2-(trifluoromethoxy)benzene SMILES: C1=CC=C(C(=C1)CBr)OC(F)(F)F
| PubChem CID | 2777254 |
|---|---|
| CAS | 198649-68-2 |
| Molecular Weight (g/mol) | 255.034 |
| MDL Number | MFCD00236321 |
| SMILES | C1=CC=C(C(=C1)CBr)OC(F)(F)F |
| Synonym | 2-trifluoromethoxy benzyl bromide,1-bromomethyl-2-trifluoromethoxy benzene,2-trifluoromethoxy benzylbromide,alpha-bromo-2-trifluoromethoxy toluene,2-trifluoromethoxybenzyl bromide,2-trifluoromethoxy-benzyl bromide,benzene, 1-bromomethyl-2-trifluoromethoxy,2-bromomethyl phenoxy trifluoromethane,acmc-1c20t |
| IUPAC Name | 1-(bromomethyl)-2-(trifluoromethoxy)benzene |
| InChI Key | TUNSVUOTVLWNQT-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrF3O |
4-(4-Hydroxyphenyl)cyclohexanone 95.0+%, TCI America™
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CAS: 105640-07-1 Molecular Formula: C12H14O2 Molecular Weight (g/mol): 190.24 MDL Number: MFCD00210693 InChI Key: SLJYPZJZQIHNGU-UHFFFAOYSA-N Synonym: 4-4-hydroxyphenyl cyclohexanone,4-4-hydroxyphenyl cyclohexan-1-one,4-4-hydroxyphenyl-cyclohexanone,cyclohexanone, 4-4-hydroxyphenyl,4-4-hydroxyphenyl-1-cyclohexanone,acmc-1cukv,4-4-oxocyclohexyl phenol,ksc495c5l,4-4'-hydroxyphenyl-cyclohexanone PubChem CID: 4598916 IUPAC Name: 4-(4-hydroxyphenyl)cyclohexan-1-one SMILES: OC1=CC=C(C=C1)C1CCC(=O)CC1
| PubChem CID | 4598916 |
|---|---|
| CAS | 105640-07-1 |
| Molecular Weight (g/mol) | 190.24 |
| MDL Number | MFCD00210693 |
| SMILES | OC1=CC=C(C=C1)C1CCC(=O)CC1 |
| Synonym | 4-4-hydroxyphenyl cyclohexanone,4-4-hydroxyphenyl cyclohexan-1-one,4-4-hydroxyphenyl-cyclohexanone,cyclohexanone, 4-4-hydroxyphenyl,4-4-hydroxyphenyl-1-cyclohexanone,acmc-1cukv,4-4-oxocyclohexyl phenol,ksc495c5l,4-4'-hydroxyphenyl-cyclohexanone |
| IUPAC Name | 4-(4-hydroxyphenyl)cyclohexan-1-one |
| InChI Key | SLJYPZJZQIHNGU-UHFFFAOYSA-N |
| Molecular Formula | C12H14O2 |
DL-Adrenaline Hydrochloride 98.0+%, TCI America™
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CAS: 329-63-5 Molecular Formula: C9H14ClNO3 Molecular Weight (g/mol): 219.665 MDL Number: MFCD00050562 InChI Key: ATADHKWKHYVBTJ-UHFFFAOYSA-N Synonym: DL-Epinephrine Hydrochloride PubChem CID: 5924 IUPAC Name: 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrochloride SMILES: CNCC(C1=CC(=C(C=C1)O)O)O.Cl
| PubChem CID | 5924 |
|---|---|
| CAS | 329-63-5 |
| Molecular Weight (g/mol) | 219.665 |
| MDL Number | MFCD00050562 |
| SMILES | CNCC(C1=CC(=C(C=C1)O)O)O.Cl |
| Synonym | DL-Epinephrine Hydrochloride |
| IUPAC Name | 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrochloride |
| InChI Key | ATADHKWKHYVBTJ-UHFFFAOYSA-N |
| Molecular Formula | C9H14ClNO3 |
4-Amino-3-bromobenzoic Acid 98.0+%, TCI America™
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CAS: 6311-37-1 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD03407439 InChI Key: BFIVZIVVJNFTIQ-UHFFFAOYSA-N PubChem CID: 238935 IUPAC Name: 4-amino-3-bromobenzoic acid SMILES: NC1=CC=C(C=C1Br)C(O)=O
| PubChem CID | 238935 |
|---|---|
| CAS | 6311-37-1 |
| Molecular Weight (g/mol) | 216.03 |
| MDL Number | MFCD03407439 |
| SMILES | NC1=CC=C(C=C1Br)C(O)=O |
| IUPAC Name | 4-amino-3-bromobenzoic acid |
| InChI Key | BFIVZIVVJNFTIQ-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO2 |
(S,S)-N-(2-Amino-1,2-diphenylethyl)-p-toluenesulfonamide 98.0+%, TCI America™
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CAS: 167316-27-0 Molecular Formula: C21H23N2O2S Molecular Weight (g/mol): 367.49 MDL Number: MFCD03095684 InChI Key: UOPFIWYXBIHPIP-SFTDATJTSA-O Synonym: 1s,2s-+-n-p-tosyl-1,2-diphenylethylenediamine,s,s-tsdpen,1s,2s-+-n-4-toluenesulfonyl-1,2-diphenylethylenediamine,1s,2s-n-4-toluenesulfonyl-1,2-diphenylethylene-1,2-diamine,1s,2s---n-p-tosyl-1,2-diphenylethylenediamine,n-1s,2s-2-amino-1,2-diphenylethyl-4-methylbenzenesulfonamide,1s, 2s-+-n-4-toluene sulfonyl 1,2-diphenyl-1,2-ethane diamine,s,s-n-p-toluenesulfonyl-1,2-diphenylethylenediamine,1s,2s-tsdpen,s,s-n-2-amino-1,2-diphenylethyl-p-toluenesulfonamide PubChem CID: 6612782 IUPAC Name: N-[(1S,2S)-2-azaniumyl-1,2-diphenylethyl]-4-methylbenzene-1-sulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H]([C@@H]([NH3+])C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 6612782 |
|---|---|
| CAS | 167316-27-0 |
| Molecular Weight (g/mol) | 367.49 |
| MDL Number | MFCD03095684 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@H]([C@@H]([NH3+])C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1s,2s-+-n-p-tosyl-1,2-diphenylethylenediamine,s,s-tsdpen,1s,2s-+-n-4-toluenesulfonyl-1,2-diphenylethylenediamine,1s,2s-n-4-toluenesulfonyl-1,2-diphenylethylene-1,2-diamine,1s,2s---n-p-tosyl-1,2-diphenylethylenediamine,n-1s,2s-2-amino-1,2-diphenylethyl-4-methylbenzenesulfonamide,1s, 2s-+-n-4-toluene sulfonyl 1,2-diphenyl-1,2-ethane diamine,s,s-n-p-toluenesulfonyl-1,2-diphenylethylenediamine,1s,2s-tsdpen,s,s-n-2-amino-1,2-diphenylethyl-p-toluenesulfonamide |
| IUPAC Name | N-[(1S,2S)-2-azaniumyl-1,2-diphenylethyl]-4-methylbenzene-1-sulfonamide |
| InChI Key | UOPFIWYXBIHPIP-SFTDATJTSA-O |
| Molecular Formula | C21H23N2O2S |
4-Amino-3-chlorophenol Hydrochloride 98.0+%, TCI America™
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CAS: 52671-64-4 Molecular Formula: C6H7Cl2NO Molecular Weight (g/mol): 180.028 MDL Number: MFCD00143110 InChI Key: RFJVQGMBFQGZPV-UHFFFAOYSA-N Synonym: 4-amino-3-chlorophenol hydrochloride,4-amino-3-chlorophenol hcl,2-chloro-4-hydroxyaniline hydrochloride,phenol, 4-amino-3-chloro-, hydrochloride,4-azanyl-3-chloranyl-phenol hydrochloride,c6h6clno.hcl,acmc-209l0t,ksc495i8f,4-amino-3-chlorophenol, chloride,3-chloro-4-aminophenol hydrochloride PubChem CID: 12598190 IUPAC Name: 4-amino-3-chlorophenol;hydrochloride SMILES: C1=CC(=C(C=C1O)Cl)N.Cl
| PubChem CID | 12598190 |
|---|---|
| CAS | 52671-64-4 |
| Molecular Weight (g/mol) | 180.028 |
| MDL Number | MFCD00143110 |
| SMILES | C1=CC(=C(C=C1O)Cl)N.Cl |
| Synonym | 4-amino-3-chlorophenol hydrochloride,4-amino-3-chlorophenol hcl,2-chloro-4-hydroxyaniline hydrochloride,phenol, 4-amino-3-chloro-, hydrochloride,4-azanyl-3-chloranyl-phenol hydrochloride,c6h6clno.hcl,acmc-209l0t,ksc495i8f,4-amino-3-chlorophenol, chloride,3-chloro-4-aminophenol hydrochloride |
| IUPAC Name | 4-amino-3-chlorophenol;hydrochloride |
| InChI Key | RFJVQGMBFQGZPV-UHFFFAOYSA-N |
| Molecular Formula | C6H7Cl2NO |
2-Aminoanthracene 98.0+%, TCI America™
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CAS: 613-13-8 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.249 MDL Number: MFCD00003582 InChI Key: YCSBALJAGZKWFF-UHFFFAOYSA-N Synonym: 2-aminoanthracene,2-anthramine,2-anthracenamine,2-anthrylamine,2-anthracylamine,beta-aminoanthracene,2-anthracenamide,ccris 22,.beta.-aminoanthracene,dsstox_cid_4458 PubChem CID: 11937 ChEBI: CHEBI:34260 IUPAC Name: anthracen-2-amine SMILES: C1=CC=C2C=C3C=C(C=CC3=CC2=C1)N
| PubChem CID | 11937 |
|---|---|
| CAS | 613-13-8 |
| Molecular Weight (g/mol) | 193.249 |
| ChEBI | CHEBI:34260 |
| MDL Number | MFCD00003582 |
| SMILES | C1=CC=C2C=C3C=C(C=CC3=CC2=C1)N |
| Synonym | 2-aminoanthracene,2-anthramine,2-anthracenamine,2-anthrylamine,2-anthracylamine,beta-aminoanthracene,2-anthracenamide,ccris 22,.beta.-aminoanthracene,dsstox_cid_4458 |
| IUPAC Name | anthracen-2-amine |
| InChI Key | YCSBALJAGZKWFF-UHFFFAOYSA-N |
| Molecular Formula | C14H11N |
3-Chloromethyl-5-nitrosalicylaldehyde 97.0+%, TCI America™
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CAS: 16644-30-7 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.59 MDL Number: MFCD00191331 InChI Key: VPZKJFJWKLYFQD-UHFFFAOYSA-N PubChem CID: 99380 IUPAC Name: 3-(chloromethyl)-2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=C(CCl)C=C(C=C1C=O)[N+]([O-])=O
| PubChem CID | 99380 |
|---|---|
| CAS | 16644-30-7 |
| Molecular Weight (g/mol) | 215.59 |
| MDL Number | MFCD00191331 |
| SMILES | OC1=C(CCl)C=C(C=C1C=O)[N+]([O-])=O |
| IUPAC Name | 3-(chloromethyl)-2-hydroxy-5-nitrobenzaldehyde |
| InChI Key | VPZKJFJWKLYFQD-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO4 |
3-Methoxyphenol 98.0+%, TCI America™
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CAS: 150-19-6 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00002267 InChI Key: ASHGTJPOSUFTGB-UHFFFAOYSA-N Synonym: m-methoxyphenol,3-hydroxyanisole,m-hydroxyanisole,phenol, 3-methoxy,m-guaiacol,resorcinol monomethyl ether,resorcinol methyl ether,1-hydroxy-3-methoxybenzene,phenol, m-methoxy,3-methoxy phenol PubChem CID: 9007 ChEBI: CHEBI:52678 IUPAC Name: 3-methoxyphenol SMILES: COC1=CC=CC(=C1)O
| PubChem CID | 9007 |
|---|---|
| CAS | 150-19-6 |
| Molecular Weight (g/mol) | 124.139 |
| ChEBI | CHEBI:52678 |
| MDL Number | MFCD00002267 |
| SMILES | COC1=CC=CC(=C1)O |
| Synonym | m-methoxyphenol,3-hydroxyanisole,m-hydroxyanisole,phenol, 3-methoxy,m-guaiacol,resorcinol monomethyl ether,resorcinol methyl ether,1-hydroxy-3-methoxybenzene,phenol, m-methoxy,3-methoxy phenol |
| IUPAC Name | 3-methoxyphenol |
| InChI Key | ASHGTJPOSUFTGB-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
4-Formyl-trans-stilbene 98.0+%, TCI America™
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CAS: 40200-69-9 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD00011580 InChI Key: CLXSBHRRZNBTRT-VOTSOKGWSA-N Synonym: trans-4-Stilbenecarboxaldehyde PubChem CID: 5375876 IUPAC Name: 4-[(E)-2-phenylethenyl]benzaldehyde SMILES: C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C=O
| PubChem CID | 5375876 |
|---|---|
| CAS | 40200-69-9 |
| Molecular Weight (g/mol) | 208.26 |
| MDL Number | MFCD00011580 |
| SMILES | C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C=O |
| Synonym | trans-4-Stilbenecarboxaldehyde |
| IUPAC Name | 4-[(E)-2-phenylethenyl]benzaldehyde |
| InChI Key | CLXSBHRRZNBTRT-VOTSOKGWSA-N |
| Molecular Formula | C15H12O |
(4-Chlorophenyl)thiourea 98.0+%, TCI America™
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CAS: 3696-23-9 Molecular Formula: C7H7ClN2S Molecular Weight (g/mol): 186.66 MDL Number: MFCD00022168 InChI Key: XVEFWRUIYOXUGG-UHFFFAOYSA-N Synonym: 1-4-chlorophenyl thiourea,4-chlorophenyl thiourea,n-4-chlorophenyl thiourea,thiourea, 4-chlorophenyl,1-p-chlorophenyl thiourea,n-p-chlorophenyl thiourea,1-p-chlorophenyl-2-thiourea,4-chlorophenyl-2-thiourea,urea, 1-p-chlorophenyl-2-thio PubChem CID: 735843 IUPAC Name: (4-chlorophenyl)thiourea SMILES: NC(=S)NC1=CC=C(Cl)C=C1
| PubChem CID | 735843 |
|---|---|
| CAS | 3696-23-9 |
| Molecular Weight (g/mol) | 186.66 |
| MDL Number | MFCD00022168 |
| SMILES | NC(=S)NC1=CC=C(Cl)C=C1 |
| Synonym | 1-4-chlorophenyl thiourea,4-chlorophenyl thiourea,n-4-chlorophenyl thiourea,thiourea, 4-chlorophenyl,1-p-chlorophenyl thiourea,n-p-chlorophenyl thiourea,1-p-chlorophenyl-2-thiourea,4-chlorophenyl-2-thiourea,urea, 1-p-chlorophenyl-2-thio |
| IUPAC Name | (4-chlorophenyl)thiourea |
| InChI Key | XVEFWRUIYOXUGG-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClN2S |
4,4'-Methylenebis(2,6-diethylaniline) 98.0+%, TCI America™
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CAS: 13680-35-8 Molecular Formula: C21H30N2 Molecular Weight (g/mol): 310.485 MDL Number: MFCD00071552 InChI Key: NWIVYGKSHSJHEF-UHFFFAOYSA-N Synonym: 4,4'-methylenebis 2,6-diethylaniline,benzenamine, 4,4'-methylenebis 2,6-diethyl,bis 4-amino-3,5-diethylphenyl methane,4,4'-methylene-bis-2,6-diethylaniline,4-4-amino-3,5-diethylphenyl methyl-2,6-diethylaniline,4,4/'-methylenebis 2,6-diethylaniline,4-4-amino-3,5-diethylphenyl methyl-2,6-diethylphenylamine,lonzacure r m-dea,acmc-1bxlo PubChem CID: 83656 IUPAC Name: 4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylaniline SMILES: CCC1=CC(=CC(=C1N)CC)CC2=CC(=C(C(=C2)CC)N)CC
| PubChem CID | 83656 |
|---|---|
| CAS | 13680-35-8 |
| Molecular Weight (g/mol) | 310.485 |
| MDL Number | MFCD00071552 |
| SMILES | CCC1=CC(=CC(=C1N)CC)CC2=CC(=C(C(=C2)CC)N)CC |
| Synonym | 4,4'-methylenebis 2,6-diethylaniline,benzenamine, 4,4'-methylenebis 2,6-diethyl,bis 4-amino-3,5-diethylphenyl methane,4,4'-methylene-bis-2,6-diethylaniline,4-4-amino-3,5-diethylphenyl methyl-2,6-diethylaniline,4,4/'-methylenebis 2,6-diethylaniline,4-4-amino-3,5-diethylphenyl methyl-2,6-diethylphenylamine,lonzacure r m-dea,acmc-1bxlo |
| IUPAC Name | 4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylaniline |
| InChI Key | NWIVYGKSHSJHEF-UHFFFAOYSA-N |
| Molecular Formula | C21H30N2 |
4-Propylphenol 99.0+%, TCI America™
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CAS: 645-56-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002395 InChI Key: KLSLBUSXWBJMEC-UHFFFAOYSA-N Synonym: 4-n-propylphenol,p-propylphenol,phenol, 4-propyl,dihydrochavicol,phenol, p-propyl,1-hydroxy-4-n-propylbenzene,p-n-propylphenol,4-propyl-phenol,p-hydroxypropylbenzene,hydroxypropylbenzene, p PubChem CID: 12580 ChEBI: CHEBI:34434 IUPAC Name: 4-propylphenol SMILES: CCCC1=CC=C(C=C1)O
| PubChem CID | 12580 |
|---|---|
| CAS | 645-56-7 |
| Molecular Weight (g/mol) | 136.194 |
| ChEBI | CHEBI:34434 |
| MDL Number | MFCD00002395 |
| SMILES | CCCC1=CC=C(C=C1)O |
| Synonym | 4-n-propylphenol,p-propylphenol,phenol, 4-propyl,dihydrochavicol,phenol, p-propyl,1-hydroxy-4-n-propylbenzene,p-n-propylphenol,4-propyl-phenol,p-hydroxypropylbenzene,hydroxypropylbenzene, p |
| IUPAC Name | 4-propylphenol |
| InChI Key | KLSLBUSXWBJMEC-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
N-Methyl-4-(trifluoromethyl)aniline 98.0+%, TCI America™
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CAS: 22864-65-9 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.154 MDL Number: MFCD07369717 InChI Key: UTUYWZJPVLDHJJ-UHFFFAOYSA-N PubChem CID: 15099755 IUPAC Name: N-methyl-4-(trifluoromethyl)aniline SMILES: CNC1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 15099755 |
|---|---|
| CAS | 22864-65-9 |
| Molecular Weight (g/mol) | 175.154 |
| MDL Number | MFCD07369717 |
| SMILES | CNC1=CC=C(C=C1)C(F)(F)F |
| IUPAC Name | N-methyl-4-(trifluoromethyl)aniline |
| InChI Key | UTUYWZJPVLDHJJ-UHFFFAOYSA-N |
| Molecular Formula | C8H8F3N |