Benzene and substituted derivatives
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2-(3-Trifluoromethylanilino)nicotinic Acid 98.0+%, TCI America™
CAS: 4394-00-7 Molecular Formula: C13H9F3N2O2 Molecular Weight (g/mol): 282.22 MDL Number: MFCD00010569 InChI Key: JZFPYUNJRRFVQU-UHFFFAOYSA-N Synonym: niflumic acid,nifluril,landruma,forenol,actol,acido niflumico,nifluminic acid,acide niflumique,acidum niflumicum,acide niflumique inn-french PubChem CID: 4488 ChEBI: CHEBI:34888 IUPAC Name: 2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=CN=C1NC1=CC=CC(=C1)C(F)(F)F
| PubChem CID | 4488 |
|---|---|
| CAS | 4394-00-7 |
| Molecular Weight (g/mol) | 282.22 |
| ChEBI | CHEBI:34888 |
| MDL Number | MFCD00010569 |
| SMILES | OC(=O)C1=CC=CN=C1NC1=CC=CC(=C1)C(F)(F)F |
| Synonym | niflumic acid,nifluril,landruma,forenol,actol,acido niflumico,nifluminic acid,acide niflumique,acidum niflumicum,acide niflumique inn-french |
| IUPAC Name | 2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid |
| InChI Key | JZFPYUNJRRFVQU-UHFFFAOYSA-N |
| Molecular Formula | C13H9F3N2O2 |
3-Hydroxybenzotrifluoride 98.0+%, TCI America™
CAS: 98-17-9 Molecular Formula: C7H5F3O Molecular Weight (g/mol): 162.111 MDL Number: MFCD00002299 InChI Key: UGEJOEBBMPOJMT-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenol,3-hydroxybenzotrifluoride,m-trifluoromethylphenol,m-hydroxybenzotrifluoride,phenol, 3-trifluoromethyl,m-trifluoromethyl phenol,alpha,alpha,alpha-trifluoro-m-cresol,a,a,a-trifluoro-m-cresol PubChem CID: 7376 IUPAC Name: 3-(trifluoromethyl)phenol SMILES: C1=CC(=CC(=C1)O)C(F)(F)F
| PubChem CID | 7376 |
|---|---|
| CAS | 98-17-9 |
| Molecular Weight (g/mol) | 162.111 |
| MDL Number | MFCD00002299 |
| SMILES | C1=CC(=CC(=C1)O)C(F)(F)F |
| Synonym | 3-trifluoromethyl phenol,3-hydroxybenzotrifluoride,m-trifluoromethylphenol,m-hydroxybenzotrifluoride,phenol, 3-trifluoromethyl,m-trifluoromethyl phenol,alpha,alpha,alpha-trifluoro-m-cresol,a,a,a-trifluoro-m-cresol |
| IUPAC Name | 3-(trifluoromethyl)phenol |
| InChI Key | UGEJOEBBMPOJMT-UHFFFAOYSA-N |
| Molecular Formula | C7H5F3O |
2,5-Bis(trifluoromethyl)benzoyl Chloride 98.0+%, TCI America™
CAS: 393-82-8 Molecular Formula: C9H3ClF6O Molecular Weight (g/mol): 276.562 MDL Number: MFCD00074997 InChI Key: LRJNPOCQOZWIGR-UHFFFAOYSA-N PubChem CID: 2737812 IUPAC Name: 2,5-bis(trifluoromethyl)benzoyl chloride SMILES: C1=CC(=C(C=C1C(F)(F)F)C(=O)Cl)C(F)(F)F
| PubChem CID | 2737812 |
|---|---|
| CAS | 393-82-8 |
| Molecular Weight (g/mol) | 276.562 |
| MDL Number | MFCD00074997 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)C(=O)Cl)C(F)(F)F |
| IUPAC Name | 2,5-bis(trifluoromethyl)benzoyl chloride |
| InChI Key | LRJNPOCQOZWIGR-UHFFFAOYSA-N |
| Molecular Formula | C9H3ClF6O |
2-Fluorobenzotrifluoride 98.0+%, TCI America™
CAS: 392-85-8 Molecular Formula: C7H4F4 Molecular Weight (g/mol): 164.103 MDL Number: MFCD00000374 InChI Key: BGVGHYOIWIALFF-UHFFFAOYSA-N Synonym: 2-fluorobenzotrifluoride,1-fluoro-2-trifluoromethyl benzene,o-fluorobenzotrifluoride,benzene, 1-fluoro-2-trifluoromethyl,alpha,alpha,alpha,2-tetrafluorotoluene,benzene, fluoro trifluoromethyl,o,alpha,alpha,alpha-tetrafluorotoluene,a,a,a,2-tetrafluorotoluene,alpha,alpha,alpha,ar-tetrafluorotoluene,2-trifluoromethyl fluorobenzene PubChem CID: 9807 IUPAC Name: 1-fluoro-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)F
| PubChem CID | 9807 |
|---|---|
| CAS | 392-85-8 |
| Molecular Weight (g/mol) | 164.103 |
| MDL Number | MFCD00000374 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)F |
| Synonym | 2-fluorobenzotrifluoride,1-fluoro-2-trifluoromethyl benzene,o-fluorobenzotrifluoride,benzene, 1-fluoro-2-trifluoromethyl,alpha,alpha,alpha,2-tetrafluorotoluene,benzene, fluoro trifluoromethyl,o,alpha,alpha,alpha-tetrafluorotoluene,a,a,a,2-tetrafluorotoluene,alpha,alpha,alpha,ar-tetrafluorotoluene,2-trifluoromethyl fluorobenzene |
| IUPAC Name | 1-fluoro-2-(trifluoromethyl)benzene |
| InChI Key | BGVGHYOIWIALFF-UHFFFAOYSA-N |
| Molecular Formula | C7H4F4 |
1-Bromo-2,5-bis(trifluoromethyl)benzene 87.0+%, TCI America™
CAS: 7617-93-8 Molecular Formula: C8H3BrF6 Molecular Weight (g/mol): 293.006 MDL Number: MFCD03094336 InChI Key: GFQNSGHVOFVTLC-UHFFFAOYSA-N Synonym: 2,5-bis trifluoromethyl bromobenzene,2-bromo-1,4-bis trifluoromethyl benzene,1-bromo-2,5-bis trifluoromethyl benzene,1,4-bis trifluoromethyl-2-bromobenzene,benzene, 2-bromo-1,4-bis trifluoromethyl,pubchem4264,acmc-1bisb,ksc495k7j,2,5-bis-trifluoromethylbromobenzene PubChem CID: 2734763 IUPAC Name: 2-bromo-1,4-bis(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)C(F)(F)F
| PubChem CID | 2734763 |
|---|---|
| CAS | 7617-93-8 |
| Molecular Weight (g/mol) | 293.006 |
| MDL Number | MFCD03094336 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Br)C(F)(F)F |
| Synonym | 2,5-bis trifluoromethyl bromobenzene,2-bromo-1,4-bis trifluoromethyl benzene,1-bromo-2,5-bis trifluoromethyl benzene,1,4-bis trifluoromethyl-2-bromobenzene,benzene, 2-bromo-1,4-bis trifluoromethyl,pubchem4264,acmc-1bisb,ksc495k7j,2,5-bis-trifluoromethylbromobenzene |
| IUPAC Name | 2-bromo-1,4-bis(trifluoromethyl)benzene |
| InChI Key | GFQNSGHVOFVTLC-UHFFFAOYSA-N |
| Molecular Formula | C8H3BrF6 |
4-Isothiocyanato-2-(trifluoromethyl)benzonitrile 98.0+%, TCI America™
CAS: 143782-23-4 Molecular Formula: C9H3F3N2S Molecular Weight (g/mol): 228.192 MDL Number: MFCD09800709 InChI Key: TYXKOMAQTWRDCR-UHFFFAOYSA-N Synonym: 4-Cyano-3-(trifluoromethyl)phenyl Isothiocyanate, Isothiocyanic Acid 4-Cyano-3-(trifluoromethyl)phenyl Ester PubChem CID: 11615540 IUPAC Name: 4-isothiocyanato-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1N=C=S)C(F)(F)F)C#N
| PubChem CID | 11615540 |
|---|---|
| CAS | 143782-23-4 |
| Molecular Weight (g/mol) | 228.192 |
| MDL Number | MFCD09800709 |
| SMILES | C1=CC(=C(C=C1N=C=S)C(F)(F)F)C#N |
| Synonym | 4-Cyano-3-(trifluoromethyl)phenyl Isothiocyanate, Isothiocyanic Acid 4-Cyano-3-(trifluoromethyl)phenyl Ester |
| IUPAC Name | 4-isothiocyanato-2-(trifluoromethyl)benzonitrile |
| InChI Key | TYXKOMAQTWRDCR-UHFFFAOYSA-N |
| Molecular Formula | C9H3F3N2S |
4-Fluoro-3-(trifluoromethyl)benzoyl Chloride 98.0+%, TCI America™
CAS: 67515-56-4 Molecular Formula: C8H3ClF4O Molecular Weight (g/mol): 226.55 MDL Number: MFCD00061159 InChI Key: BUDISZQHCHGLJW-UHFFFAOYSA-N PubChem CID: 144253 IUPAC Name: 4-fluoro-3-(trifluoromethyl)benzoyl chloride SMILES: FC1=CC=C(C=C1C(F)(F)F)C(Cl)=O
| PubChem CID | 144253 |
|---|---|
| CAS | 67515-56-4 |
| Molecular Weight (g/mol) | 226.55 |
| MDL Number | MFCD00061159 |
| SMILES | FC1=CC=C(C=C1C(F)(F)F)C(Cl)=O |
| IUPAC Name | 4-fluoro-3-(trifluoromethyl)benzoyl chloride |
| InChI Key | BUDISZQHCHGLJW-UHFFFAOYSA-N |
| Molecular Formula | C8H3ClF4O |
3-Methoxybenzotrifluoride 97.0+%, TCI America™
CAS: 454-90-0 Molecular Formula: C8H7F3O Molecular Weight (g/mol): 176.14 MDL Number: MFCD00000385 InChI Key: XHONYVFDZSPELQ-UHFFFAOYSA-N Synonym: 3-trifluoromethyl anisole,1-methoxy-3-trifluoromethyl benzene,3-methoxybenzotrifluoride,3-trifluoromethylanisole,benzene, 1-methoxy-3-trifluoromethyl,3-methoxy-1-trifluoromethyl benzene,pubchem2712,3-trifluoromethylanisol,acmc-1cuj0,m-trifluoromethyl anisole PubChem CID: 96691 IUPAC Name: 1-methoxy-3-(trifluoromethyl)benzene SMILES: COC1=CC=CC(=C1)C(F)(F)F
| PubChem CID | 96691 |
|---|---|
| CAS | 454-90-0 |
| Molecular Weight (g/mol) | 176.14 |
| MDL Number | MFCD00000385 |
| SMILES | COC1=CC=CC(=C1)C(F)(F)F |
| Synonym | 3-trifluoromethyl anisole,1-methoxy-3-trifluoromethyl benzene,3-methoxybenzotrifluoride,3-trifluoromethylanisole,benzene, 1-methoxy-3-trifluoromethyl,3-methoxy-1-trifluoromethyl benzene,pubchem2712,3-trifluoromethylanisol,acmc-1cuj0,m-trifluoromethyl anisole |
| IUPAC Name | 1-methoxy-3-(trifluoromethyl)benzene |
| InChI Key | XHONYVFDZSPELQ-UHFFFAOYSA-N |
| Molecular Formula | C8H7F3O |
Methyl 2-Amino-4-(trifluoromethyl)benzoate 98.0+%, TCI America™
CAS: 61500-87-6 Molecular Formula: C9H8F3NO2 Molecular Weight (g/mol): 219.163 MDL Number: MFCD08543939 InChI Key: DZICUHOFOOPVFM-UHFFFAOYSA-N Synonym: 2-Amino-4-(trifluoromethyl)benzoic Acid Methyl Ester PubChem CID: 12601886 IUPAC Name: methyl 2-amino-4-(trifluoromethyl)benzoate SMILES: COC(=O)C1=C(C=C(C=C1)C(F)(F)F)N
| PubChem CID | 12601886 |
|---|---|
| CAS | 61500-87-6 |
| Molecular Weight (g/mol) | 219.163 |
| MDL Number | MFCD08543939 |
| SMILES | COC(=O)C1=C(C=C(C=C1)C(F)(F)F)N |
| Synonym | 2-Amino-4-(trifluoromethyl)benzoic Acid Methyl Ester |
| IUPAC Name | methyl 2-amino-4-(trifluoromethyl)benzoate |
| InChI Key | DZICUHOFOOPVFM-UHFFFAOYSA-N |
| Molecular Formula | C9H8F3NO2 |
2-Chlorobenzotrifluoride 98.0+%, TCI America™
CAS: 88-16-4 Molecular Formula: C7H4ClF3 Molecular Weight (g/mol): 180.554 MDL Number: MFCD00000561 InChI Key: DGRVQOKCSKDWIH-UHFFFAOYSA-N Synonym: 2-chlorobenzotrifluoride,1-chloro-2-trifluoromethyl benzene,o-chlorobenzotrifluoride,chlorobenzotrifluoride,benzene, 1-chloro-2-trifluoromethyl,2-chloro trifluoromethyl benzene,2-chloro-alpha,alpha,alpha-trifluorotoluene,2-chloro-benzotrifluoride,o-trifluoromethyl chlorobenzene,o-trifluoromethyl phenyl chloride PubChem CID: 6921 IUPAC Name: 1-chloro-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)Cl
| PubChem CID | 6921 |
|---|---|
| CAS | 88-16-4 |
| Molecular Weight (g/mol) | 180.554 |
| MDL Number | MFCD00000561 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)Cl |
| Synonym | 2-chlorobenzotrifluoride,1-chloro-2-trifluoromethyl benzene,o-chlorobenzotrifluoride,chlorobenzotrifluoride,benzene, 1-chloro-2-trifluoromethyl,2-chloro trifluoromethyl benzene,2-chloro-alpha,alpha,alpha-trifluorotoluene,2-chloro-benzotrifluoride,o-trifluoromethyl chlorobenzene,o-trifluoromethyl phenyl chloride |
| IUPAC Name | 1-chloro-2-(trifluoromethyl)benzene |
| InChI Key | DGRVQOKCSKDWIH-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClF3 |
3,5-Bis(trifluoromethyl)benzyl Chloride 97.0+%, TCI America™
CAS: 75462-59-8 Molecular Formula: C9H5ClF6 Molecular Weight (g/mol): 262.579 MDL Number: MFCD00009906 InChI Key: OINTXXMBRBLMHH-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzyl chloride,1-chloromethyl-3,5-bis trifluoromethyl benzene,3,5-bis-trifluoromethyl benzyl chloride,3,5-bis trifluoromethyl benzylchloride,3,5-di trifluoromethyl benzyl chloride,benzene, 1-chloromethyl-3,5-bis trifluoromethyl,3,5-bis trifluoromethyl-1-chloromethyl benzene,1,3-bis trifluoromethyl-5-chloromethyl benzene PubChem CID: 123576 IUPAC Name: 1-(chloromethyl)-3,5-bis(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CCl
| PubChem CID | 123576 |
|---|---|
| CAS | 75462-59-8 |
| Molecular Weight (g/mol) | 262.579 |
| MDL Number | MFCD00009906 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CCl |
| Synonym | 3,5-bis trifluoromethyl benzyl chloride,1-chloromethyl-3,5-bis trifluoromethyl benzene,3,5-bis-trifluoromethyl benzyl chloride,3,5-bis trifluoromethyl benzylchloride,3,5-di trifluoromethyl benzyl chloride,benzene, 1-chloromethyl-3,5-bis trifluoromethyl,3,5-bis trifluoromethyl-1-chloromethyl benzene,1,3-bis trifluoromethyl-5-chloromethyl benzene |
| IUPAC Name | 1-(chloromethyl)-3,5-bis(trifluoromethyl)benzene |
| InChI Key | OINTXXMBRBLMHH-UHFFFAOYSA-N |
| Molecular Formula | C9H5ClF6 |
2-Fluoro-5-(trifluoromethyl)benzoic Acid 98.0+%, TCI America™
CAS: 115029-23-7 Molecular Formula: C8H3F4O2 Molecular Weight (g/mol): 207.10 MDL Number: MFCD00061292 InChI Key: LIFKXWNFWIUMJT-UHFFFAOYSA-M Synonym: 2-fluoro-5-trifluoromethyl benzoic acid,2-fluoro-5-trifluoromethyl benzoicacid,alpha,alpha,alpha,6-tetrafluoro-m-toluic acid,benzoic acid, 2-fluoro-5-trifluoromethyl,maybridge1_006396,2-fluoro-5-trifluoromethylbenzioc acid,pubchem4758,acmc-1bvsf,ksc180k3f PubChem CID: 688292 IUPAC Name: 2-fluoro-5-(trifluoromethyl)benzoate SMILES: [O-]C(=O)C1=CC(=CC=C1F)C(F)(F)F
| PubChem CID | 688292 |
|---|---|
| CAS | 115029-23-7 |
| Molecular Weight (g/mol) | 207.10 |
| MDL Number | MFCD00061292 |
| SMILES | [O-]C(=O)C1=CC(=CC=C1F)C(F)(F)F |
| Synonym | 2-fluoro-5-trifluoromethyl benzoic acid,2-fluoro-5-trifluoromethyl benzoicacid,alpha,alpha,alpha,6-tetrafluoro-m-toluic acid,benzoic acid, 2-fluoro-5-trifluoromethyl,maybridge1_006396,2-fluoro-5-trifluoromethylbenzioc acid,pubchem4758,acmc-1bvsf,ksc180k3f |
| IUPAC Name | 2-fluoro-5-(trifluoromethyl)benzoate |
| InChI Key | LIFKXWNFWIUMJT-UHFFFAOYSA-M |
| Molecular Formula | C8H3F4O2 |
4-Amino-3-nitrobenzotrifluoride 99.0+%, TCI America™
CAS: 400-98-6 Molecular Formula: C7H5F3N2O2 Molecular Weight (g/mol): 206.124 MDL Number: MFCD00007155 InChI Key: ATXBGHLILIABGX-UHFFFAOYSA-N Synonym: 2-nitro-4-trifluoromethyl aniline,4-amino-3-nitrobenzotrifluoride,benzenamine, 2-nitro-4-trifluoromethyl,alpha,alpha,alpha-trifluoro-2-nitro-p-toluidine,4-trifluoromethyl 2-nitroaniline,4-amino-3-nitro benzotrifluoride,4-amino-3-nitrobenzo trifluoride,aniline, 2-nitro-4-trifluoromethyl,2-nitro-4-trifluoromethyl phenylamine,3-nitro-4-aminobenzotrifluoride PubChem CID: 67865 IUPAC Name: 2-nitro-4-(trifluoromethyl)aniline SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N
| PubChem CID | 67865 |
|---|---|
| CAS | 400-98-6 |
| Molecular Weight (g/mol) | 206.124 |
| MDL Number | MFCD00007155 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N |
| Synonym | 2-nitro-4-trifluoromethyl aniline,4-amino-3-nitrobenzotrifluoride,benzenamine, 2-nitro-4-trifluoromethyl,alpha,alpha,alpha-trifluoro-2-nitro-p-toluidine,4-trifluoromethyl 2-nitroaniline,4-amino-3-nitro benzotrifluoride,4-amino-3-nitrobenzo trifluoride,aniline, 2-nitro-4-trifluoromethyl,2-nitro-4-trifluoromethyl phenylamine,3-nitro-4-aminobenzotrifluoride |
| IUPAC Name | 2-nitro-4-(trifluoromethyl)aniline |
| InChI Key | ATXBGHLILIABGX-UHFFFAOYSA-N |
| Molecular Formula | C7H5F3N2O2 |
Dimethyl [2-Oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate 98.0+%, TCI America™
CAS: 54094-19-8 Molecular Formula: C12H14F3O5P Molecular Weight (g/mol): 326.208 MDL Number: MFCD09054713 InChI Key: MBGWNNJXMYHKQO-UHFFFAOYSA-N Synonym: [2-Oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonic Acid Dimethyl Ester PubChem CID: 15003092 IUPAC Name: 1-dimethoxyphosphoryl-3-[3-(trifluoromethyl)phenoxy]propan-2-one SMILES: COP(=O)(CC(=O)COC1=CC=CC(=C1)C(F)(F)F)OC
| PubChem CID | 15003092 |
|---|---|
| CAS | 54094-19-8 |
| Molecular Weight (g/mol) | 326.208 |
| MDL Number | MFCD09054713 |
| SMILES | COP(=O)(CC(=O)COC1=CC=CC(=C1)C(F)(F)F)OC |
| Synonym | [2-Oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonic Acid Dimethyl Ester |
| IUPAC Name | 1-dimethoxyphosphoryl-3-[3-(trifluoromethyl)phenoxy]propan-2-one |
| InChI Key | MBGWNNJXMYHKQO-UHFFFAOYSA-N |
| Molecular Formula | C12H14F3O5P |
4-Fluoro-2-(trifluoromethyl)benzaldehyde 98.0+%, TCI America™
CAS: 90176-80-0 Molecular Formula: C8H4F4O Molecular Weight (g/mol): 192.113 InChI Key: NONOHEMDNFTKCZ-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl benzaldehyde,2-trifluoromethyl-4-fluorobenzaldehyde,4-fluoro-2-trifluoromethyl-benzaldehyde,benzaldehyde, 4-fluoro-2-trifluoromethyl,5-fluoro-2-formylbenzotrifluoride,alpha,alpha,alpha,4-tetrafluoro-o-tolualdehyde,pubchem4241,ksc487q2t,paragos 530044 PubChem CID: 522940 IUPAC Name: 4-fluoro-2-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=C(C=C1F)C(F)(F)F)C=O
| PubChem CID | 522940 |
|---|---|
| CAS | 90176-80-0 |
| Molecular Weight (g/mol) | 192.113 |
| SMILES | C1=CC(=C(C=C1F)C(F)(F)F)C=O |
| Synonym | 4-fluoro-2-trifluoromethyl benzaldehyde,2-trifluoromethyl-4-fluorobenzaldehyde,4-fluoro-2-trifluoromethyl-benzaldehyde,benzaldehyde, 4-fluoro-2-trifluoromethyl,5-fluoro-2-formylbenzotrifluoride,alpha,alpha,alpha,4-tetrafluoro-o-tolualdehyde,pubchem4241,ksc487q2t,paragos 530044 |
| IUPAC Name | 4-fluoro-2-(trifluoromethyl)benzaldehyde |
| InChI Key | NONOHEMDNFTKCZ-UHFFFAOYSA-N |
| Molecular Formula | C8H4F4O |