Trifluoromethylbenzenes

Organic compounds that consist of a phenyl group bonded to a carbon that is bonded to three fluorine atoms in the following structure: C6H5CF3; also known as benzotrifluoride.

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361 – 375 of 1,733 results

361

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

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Specifications

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

362

1,3,5-Tris(trifluoromethyl)benzene 98.0+%, TCI America™

CAS: 729-81-7 Molecular Formula: C9H3F9 Molecular Weight (g/mol): 282.109 MDL Number: MFCD00054722 InChI Key: ZMAUHKSOLPYPDB-UHFFFAOYSA-N PubChem CID: 123085 IUPAC Name: 1,3,5-tris(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(F)(F)F

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Specifications

PubChem CID	123085
CAS	729-81-7
Molecular Weight (g/mol)	282.109
MDL Number	MFCD00054722
SMILES	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(F)(F)F
IUPAC Name	1,3,5-tris(trifluoromethyl)benzene
InChI Key	ZMAUHKSOLPYPDB-UHFFFAOYSA-N
Molecular Formula	C9H3F9

363

2-(Trifluoromethyl)-1,4-phenylenediamine 98.0+%, TCI America™

CAS: 364-13-6 Molecular Formula: C7H7F3N2 Molecular Weight (g/mol): 176.142 MDL Number: MFCD00036101 InChI Key: ZQQOGBKIFPCFMJ-UHFFFAOYSA-N Synonym: 2,5-Diaminobenzotrifluoride PubChem CID: 136197 IUPAC Name: 2-(trifluoromethyl)benzene-1,4-diamine SMILES: C1=CC(=C(C=C1N)C(F)(F)F)N

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Specifications

PubChem CID	136197
CAS	364-13-6
Molecular Weight (g/mol)	176.142
MDL Number	MFCD00036101
SMILES	C1=CC(=C(C=C1N)C(F)(F)F)N
Synonym	2,5-Diaminobenzotrifluoride
IUPAC Name	2-(trifluoromethyl)benzene-1,4-diamine
InChI Key	ZQQOGBKIFPCFMJ-UHFFFAOYSA-N
Molecular Formula	C7H7F3N2

364

3-[3-(Trifluoromethyl)phenyl]-1-propanol 98.0+%, TCI America™

CAS: 78573-45-2 Molecular Formula: C10H11F3O Molecular Weight (g/mol): 204.19 MDL Number: MFCD08706408 InChI Key: QWXKQVIMGVVIBX-UHFFFAOYSA-N Synonym: 3-3-trifluoromethyl phenyl propan-1-ol,3-3'-trifluoromethyl phenyl propanol,3-3-trifluoromethyl phenyl-1-propanol,3-trifluoromethyl benzenepropanol,3-3-trifluoromethyl-phenyl-propan-1-ol,3-3'-trifluoromethylphenyl propanol,benzenepropanol, 3-trifluoromethyl,pubchem13744,benzenepropanol,3-trifluoromethyl PubChem CID: 18755618 ChEBI: CHEBI:48528 IUPAC Name: 3-[3-(trifluoromethyl)phenyl]propan-1-ol SMILES: OCCCC1=CC(=CC=C1)C(F)(F)F

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Specifications

PubChem CID	18755618
CAS	78573-45-2
Molecular Weight (g/mol)	204.19
ChEBI	CHEBI:48528
MDL Number	MFCD08706408
SMILES	OCCCC1=CC(=CC=C1)C(F)(F)F
Synonym	3-3-trifluoromethyl phenyl propan-1-ol,3-3'-trifluoromethyl phenyl propanol,3-3-trifluoromethyl phenyl-1-propanol,3-trifluoromethyl benzenepropanol,3-3-trifluoromethyl-phenyl-propan-1-ol,3-3'-trifluoromethylphenyl propanol,benzenepropanol, 3-trifluoromethyl,pubchem13744,benzenepropanol,3-trifluoromethyl
IUPAC Name	3-[3-(trifluoromethyl)phenyl]propan-1-ol
InChI Key	QWXKQVIMGVVIBX-UHFFFAOYSA-N
Molecular Formula	C10H11F3O

365

5-Trifluoromethyl-1,3-phenylenediamine 98.0+%, TCI America™

CAS: 368-53-6 Molecular Formula: C7H7F3N2 Molecular Weight (g/mol): 176.142 MDL Number: MFCD00014776 InChI Key: KZSXRDLXTFEHJM-UHFFFAOYSA-N Synonym: 3,5-diaminobenzotrifluoride,5-trifluoromethyl benzene-1,3-diamine,5-trifluoromethyl-1,3-phenylenediamine,5-trifluoromethyl-1,3-benzenediamine,3,5-benzotrifluorodiamine,unii-z89rd529kk,5-trifluoromethyl-benzene-1,3-diamine,1,3-benzeneamine, 5-trifluoromethyl,1,3-benzenediamine, 5-trifluoromethyl,alpha,alpha,alpha-trifluorotoluene-3,5-diamine PubChem CID: 67781 IUPAC Name: 5-(trifluoromethyl)benzene-1,3-diamine SMILES: C1=C(C=C(C=C1N)N)C(F)(F)F

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Specifications

PubChem CID	67781
CAS	368-53-6
Molecular Weight (g/mol)	176.142
MDL Number	MFCD00014776
SMILES	C1=C(C=C(C=C1N)N)C(F)(F)F
Synonym	3,5-diaminobenzotrifluoride,5-trifluoromethyl benzene-1,3-diamine,5-trifluoromethyl-1,3-phenylenediamine,5-trifluoromethyl-1,3-benzenediamine,3,5-benzotrifluorodiamine,unii-z89rd529kk,5-trifluoromethyl-benzene-1,3-diamine,1,3-benzeneamine, 5-trifluoromethyl,1,3-benzenediamine, 5-trifluoromethyl,alpha,alpha,alpha-trifluorotoluene-3,5-diamine
IUPAC Name	5-(trifluoromethyl)benzene-1,3-diamine
InChI Key	KZSXRDLXTFEHJM-UHFFFAOYSA-N
Molecular Formula	C7H7F3N2

366

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

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Specifications

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

367

3-(Trifluoromethyl)phenyltrimethylammonium Iodide 98.0+%, TCI America™

CAS: 27389-57-7 Molecular Formula: C10H13F3IN Molecular Weight (g/mol): 331.121 MDL Number: MFCD00059980 InChI Key: VKZIUXSJJSEBAK-UHFFFAOYSA-M Synonym: m-TFPTAI, Trimethyl-3-trifluoromethylphenylammonium Iodide PubChem CID: 2760773 IUPAC Name: trimethyl-[3-(trifluoromethyl)phenyl]azanium;iodide SMILES: C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[I-]

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Specifications

PubChem CID	2760773
CAS	27389-57-7
Molecular Weight (g/mol)	331.121
MDL Number	MFCD00059980
SMILES	C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[I-]
Synonym	m-TFPTAI, Trimethyl-3-trifluoromethylphenylammonium Iodide
IUPAC Name	trimethyl-[3-(trifluoromethyl)phenyl]azanium;iodide
InChI Key	VKZIUXSJJSEBAK-UHFFFAOYSA-M
Molecular Formula	C10H13F3IN

368

3-(Trifluoromethyl)benzoic Acid 98.0+%, TCI America™

CAS: 454-92-2 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.12 MDL Number: MFCD00002519 InChI Key: FQXQBFUUVCDIRK-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzoic acid,m-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-m-toluic acid,3-carboxybenzotrifluoride,3-trifluoromethyl-benzoic acid,benzoic acid, 3-trifluoromethyl,m-trifluoromethyl benzoic acid,3-trifluoromethyl benzoicacid,m-carboxybenzotrifluoride,a,a,a-trifluoro-m-toluic acid PubChem CID: 9963 ChEBI: CHEBI:60695 IUPAC Name: 3-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC=CC(=C1)C(F)(F)F

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Specifications

PubChem CID	9963
CAS	454-92-2
Molecular Weight (g/mol)	190.12
ChEBI	CHEBI:60695
MDL Number	MFCD00002519
SMILES	OC(=O)C1=CC=CC(=C1)C(F)(F)F
Synonym	3-trifluoromethyl benzoic acid,m-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-m-toluic acid,3-carboxybenzotrifluoride,3-trifluoromethyl-benzoic acid,benzoic acid, 3-trifluoromethyl,m-trifluoromethyl benzoic acid,3-trifluoromethyl benzoicacid,m-carboxybenzotrifluoride,a,a,a-trifluoro-m-toluic acid
IUPAC Name	3-(trifluoromethyl)benzoic acid
InChI Key	FQXQBFUUVCDIRK-UHFFFAOYSA-N
Molecular Formula	C8H5F3O2

369

2-(Trifluoromethyl)benzaldehyde 97.0+%, TCI America™

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

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Specifications

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

370

4-(Trifluoromethyl)benzoyl Chloride 97.0+%, TCI America™

CAS: 329-15-7 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.56 MDL Number: MFCD00000694 InChI Key: OXZYBOLWRXENKT-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzoyl chloride,p-trifluoromethyl benzoyl chloride,p-trifluoromethylbenzoyl chloride,benzoyl chloride, 4-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluoyl chloride,4-trifluoromethyl benzoylchloride,p-trifluoromethyl benzoic acid chloride,ptf-boc,4-trifluoromethylbenzoylchloride,4-trifluoromethyl-benzoyl chloride PubChem CID: 67607 IUPAC Name: 4-(trifluoromethyl)benzoyl chloride SMILES: FC(F)(F)C1=CC=C(C=C1)C(Cl)=O

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Specifications

PubChem CID	67607
CAS	329-15-7
Molecular Weight (g/mol)	208.56
MDL Number	MFCD00000694
SMILES	FC(F)(F)C1=CC=C(C=C1)C(Cl)=O
Synonym	4-trifluoromethyl benzoyl chloride,p-trifluoromethyl benzoyl chloride,p-trifluoromethylbenzoyl chloride,benzoyl chloride, 4-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluoyl chloride,4-trifluoromethyl benzoylchloride,p-trifluoromethyl benzoic acid chloride,ptf-boc,4-trifluoromethylbenzoylchloride,4-trifluoromethyl-benzoyl chloride
IUPAC Name	4-(trifluoromethyl)benzoyl chloride
InChI Key	OXZYBOLWRXENKT-UHFFFAOYSA-N
Molecular Formula	C8H4ClF3O

371

3-(Trifluoromethyl)benzyl Alcohol 98.0+%, TCI America™

CAS: 349-75-7 Molecular Formula: C8H7F3O Molecular Weight (g/mol): 176.138 MDL Number: MFCD00004645 InChI Key: BXEHKCUWIODEDE-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzyl alcohol,3-trifluoromethylbenzyl alcohol,3-trifluoromethyl phenyl methanol,3-trifluoromethyl benzylalcohol,m-trifluoromethylbenzyl alcohol,m-trifluoromethyl benzyl alcohol,3-trifluoromethyl benzylic alcohol,benzenemethanol, 3-trifluoromethyl,m-trifluorome benzyl alcohol PubChem CID: 67681 IUPAC Name: [3-(trifluoromethyl)phenyl]methanol SMILES: C1=CC(=CC(=C1)C(F)(F)F)CO

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Specifications

PubChem CID	67681
CAS	349-75-7
Molecular Weight (g/mol)	176.138
MDL Number	MFCD00004645
SMILES	C1=CC(=CC(=C1)C(F)(F)F)CO
Synonym	3-trifluoromethyl benzyl alcohol,3-trifluoromethylbenzyl alcohol,3-trifluoromethyl phenyl methanol,3-trifluoromethyl benzylalcohol,m-trifluoromethylbenzyl alcohol,m-trifluoromethyl benzyl alcohol,3-trifluoromethyl benzylic alcohol,benzenemethanol, 3-trifluoromethyl,m-trifluorome benzyl alcohol
IUPAC Name	[3-(trifluoromethyl)phenyl]methanol
InChI Key	BXEHKCUWIODEDE-UHFFFAOYSA-N
Molecular Formula	C8H7F3O

372

2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide 98.0+%, TCI America™

CAS: 24522-30-3 Molecular Formula: C10H7F3N2O Molecular Weight (g/mol): 228.174 MDL Number: MFCD05669245 InChI Key: JBNCFFDGYDZEEN-UHFFFAOYSA-N PubChem CID: 3823803 IUPAC Name: 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide SMILES: C1=CC(=CC=C1C(F)(F)F)NC(=O)CC#N

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Specifications

PubChem CID	3823803
CAS	24522-30-3
Molecular Weight (g/mol)	228.174
MDL Number	MFCD05669245
SMILES	C1=CC(=CC=C1C(F)(F)F)NC(=O)CC#N
IUPAC Name	2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide
InChI Key	JBNCFFDGYDZEEN-UHFFFAOYSA-N
Molecular Formula	C10H7F3N2O

373

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

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Specifications

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

374

2-(Trifluoromethyl)benzonitrile 98.0+%, TCI America™

CAS: 447-60-9 Molecular Formula: C8H4F3N Molecular Weight (g/mol): 171.122 MDL Number: MFCD00001791 InChI Key: SOZGHDCEWOLLHV-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzonitrile,o-trifluoromethylbenzonitrile,2-cyanobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolunitrile,a,a,a-trifluoro-o-tolunitrile,2-trifluoromethyl-benzonitrile,alpha,alpha,alpha-trifluoro-2-toluonitrile,benzonitrile, trifluoromethyl,benzonitrile, 2-trifluoromethyl,2-trifluoromethyl benzenecarbonitrile PubChem CID: 67972 IUPAC Name: 2-(trifluoromethyl)benzonitrile SMILES: C1=CC=C(C(=C1)C#N)C(F)(F)F

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Specifications

PubChem CID	67972
CAS	447-60-9
Molecular Weight (g/mol)	171.122
MDL Number	MFCD00001791
SMILES	C1=CC=C(C(=C1)C#N)C(F)(F)F
Synonym	2-trifluoromethyl benzonitrile,o-trifluoromethylbenzonitrile,2-cyanobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolunitrile,a,a,a-trifluoro-o-tolunitrile,2-trifluoromethyl-benzonitrile,alpha,alpha,alpha-trifluoro-2-toluonitrile,benzonitrile, trifluoromethyl,benzonitrile, 2-trifluoromethyl,2-trifluoromethyl benzenecarbonitrile
IUPAC Name	2-(trifluoromethyl)benzonitrile
InChI Key	SOZGHDCEWOLLHV-UHFFFAOYSA-N
Molecular Formula	C8H4F3N

375

3-Chloro-4-fluorobenzotrifluoride 98.0+%, TCI America™

CAS: 78068-85-6 Molecular Formula: C7H3ClF4 Molecular Weight (g/mol): 198.54 MDL Number: MFCD00042207 InChI Key: BKHVEYHSOXVAOP-UHFFFAOYSA-N Synonym: 3-chloro-4-fluorobenzotrifluoride,2-chloro-1-fluoro-4-trifluoromethyl benzene,benzene, 2-chloro-1-fluoro-4-trifluoromethyl,3-cholor-4-fluorobenzo-trifluoride,3-chloro-4-fluoro benzotrifluoride,1-chloro-2-fluoro-5-trifluoromethyl benzene,3-chloro-4-fluoro-1-trifluoromethyl benzene,benzene, chloro-1-fluoro-4-trifluoromethyl,3-chloro-alpha,alpha,alpha,4-tetrafluorotoluene,3-chloro-4-fluoro-alpha,alpha,alpha-trifluorotoluene PubChem CID: 157153 IUPAC Name: 2-chloro-1-fluoro-4-(trifluoromethyl)benzene SMILES: FC1=CC=C(C=C1Cl)C(F)(F)F

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Specifications

PubChem CID	157153
CAS	78068-85-6
Molecular Weight (g/mol)	198.54
MDL Number	MFCD00042207
SMILES	FC1=CC=C(C=C1Cl)C(F)(F)F
Synonym	3-chloro-4-fluorobenzotrifluoride,2-chloro-1-fluoro-4-trifluoromethyl benzene,benzene, 2-chloro-1-fluoro-4-trifluoromethyl,3-cholor-4-fluorobenzo-trifluoride,3-chloro-4-fluoro benzotrifluoride,1-chloro-2-fluoro-5-trifluoromethyl benzene,3-chloro-4-fluoro-1-trifluoromethyl benzene,benzene, chloro-1-fluoro-4-trifluoromethyl,3-chloro-alpha,alpha,alpha,4-tetrafluorotoluene,3-chloro-4-fluoro-alpha,alpha,alpha-trifluorotoluene
IUPAC Name	2-chloro-1-fluoro-4-(trifluoromethyl)benzene
InChI Key	BKHVEYHSOXVAOP-UHFFFAOYSA-N
Molecular Formula	C7H3ClF4

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