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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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4-(Trifluoromethyl)benzaldehyde, 98%

CAS: 455-19-6 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.12 MDL Number: MFCD00006952 InChI Key: BEOBZEOPTQQELP-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzaldehyde,benzaldehyde, 4-trifluoromethyl,p-trifluoromethylbenzaldehyde,p-trifluoromethyl benzaldehyde,alpha,alpha,alpha-trifluoro-p-tolualdehyde,4'-trifluoromethyl benzaldehyde,p-trifluoromethyl-benzaldhyde,4-trifluoromethyl-benzaldehyde PubChem CID: 67996 IUPAC Name: 4-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=CC=C1C=O)C(F)(F)F

EDGE
PubChem CID 67996
CAS 455-19-6
Molecular Weight (g/mol) 174.12
MDL Number MFCD00006952
SMILES C1=CC(=CC=C1C=O)C(F)(F)F
Synonym 4-trifluoromethyl benzaldehyde,benzaldehyde, 4-trifluoromethyl,p-trifluoromethylbenzaldehyde,p-trifluoromethyl benzaldehyde,alpha,alpha,alpha-trifluoro-p-tolualdehyde,4'-trifluoromethyl benzaldehyde,p-trifluoromethyl-benzaldhyde,4-trifluoromethyl-benzaldehyde
IUPAC Name 4-(trifluoromethyl)benzaldehyde
InChI Key BEOBZEOPTQQELP-UHFFFAOYSA-N
Molecular Formula C8H5F3O
2

2-(Trifluoromethyl)benzaldehyde, 97%

CAS: 447-61-0 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.12 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) 174.12
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
3
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3,5-Bis(trifluoromethyl)phenyl isocyanate, 98%

CAS: 16588-74-2 Molecular Formula: C9H3F6NO Molecular Weight (g/mol): 255.12 MDL Number: MFCD00013559 InChI Key: NRSSOFNMWSJECS-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl phenyl isocyanate,1-isocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl isocyanate,3,5-di trifluoromethyl phenyl isocyanate,3,5-di trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl benzenisocyanate,pubchem2735,acmc-209dtj,3,5-bistrifluorometylphenylisocyanate PubChem CID: 2733314 IUPAC Name: 1-isocyanato-3,5-bis(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F

PubChem CID 2733314
CAS 16588-74-2
Molecular Weight (g/mol) 255.12
MDL Number MFCD00013559
SMILES C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F
Synonym 3,5-bis trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl phenyl isocyanate,1-isocyanato-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl isocyanate,3,5-di trifluoromethyl phenyl isocyanate,3,5-di trifluoromethyl phenylisocyanate,3,5-bis trifluoromethyl benzenisocyanate,pubchem2735,acmc-209dtj,3,5-bistrifluorometylphenylisocyanate
IUPAC Name 1-isocyanato-3,5-bis(trifluoromethyl)benzene
InChI Key NRSSOFNMWSJECS-UHFFFAOYSA-N
Molecular Formula C9H3F6NO
4

4-(Trifluoromethyl)benzenesulfonyl chloride, 98%

CAS: 2991-42-6 Molecular Formula: C7H4ClF3O2S Molecular Weight (g/mol): 244.61 MDL Number: MFCD00042422 InChI Key: OZDCZHDOIBUGAJ-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzene-1-sulfonyl chloride,4-trifluoromethyl benzene sulfonyl chloride,p-trifluoromethylbenzenesulfonyl chloride,4-trifluoromethyl benzenesulfonylchloride,4-trifluoromethyl-benzenesulfonyl chloride,4-trifluoromethyl phenylsulfonyl chloride,p-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzenesulphonyl chloride,benzenesulfonyl chloride, 4-trifluoromethyl PubChem CID: 2777399 IUPAC Name: 4-(trifluoromethyl)benzenesulfonyl chloride SMILES: FC(F)(F)C1=CC=C(C=C1)S(Cl)(=O)=O

PubChem CID 2777399
CAS 2991-42-6
Molecular Weight (g/mol) 244.61
MDL Number MFCD00042422
SMILES FC(F)(F)C1=CC=C(C=C1)S(Cl)(=O)=O
Synonym 4-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzene-1-sulfonyl chloride,4-trifluoromethyl benzene sulfonyl chloride,p-trifluoromethylbenzenesulfonyl chloride,4-trifluoromethyl benzenesulfonylchloride,4-trifluoromethyl-benzenesulfonyl chloride,4-trifluoromethyl phenylsulfonyl chloride,p-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzenesulphonyl chloride,benzenesulfonyl chloride, 4-trifluoromethyl
IUPAC Name 4-(trifluoromethyl)benzenesulfonyl chloride
InChI Key OZDCZHDOIBUGAJ-UHFFFAOYSA-N
Molecular Formula C7H4ClF3O2S
5

Methyl 3-(trifluoromethyl)phenylacetate, 97%, Thermo Scientific™

CAS: 62451-84-7 Molecular Formula: C10H9F3O2 Molecular Weight (g/mol): 218.17 MDL Number: MFCD04039762 InChI Key: GMEBDKGPPKAPEM-UHFFFAOYSA-N PubChem CID: 2734603 IUPAC Name: methyl 2-[3-(trifluoromethyl)phenyl]acetate SMILES: COC(=O)CC1=CC(=CC=C1)C(F)(F)F

PubChem CID 2734603
CAS 62451-84-7
Molecular Weight (g/mol) 218.17
MDL Number MFCD04039762
SMILES COC(=O)CC1=CC(=CC=C1)C(F)(F)F
IUPAC Name methyl 2-[3-(trifluoromethyl)phenyl]acetate
InChI Key GMEBDKGPPKAPEM-UHFFFAOYSA-N
Molecular Formula C10H9F3O2
7

4-(Trifluoromethyl)benzoyl chloride, 97%

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

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
8

2-Bromobenzotrifluoride, 99%, Thermo Scientific Chemicals

CAS: 392-83-6 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.01 MDL Number: MFCD00000373 InChI Key: RWXUNIMBRXGNEP-UHFFFAOYSA-N Synonym: 2-bromobenzotrifluoride,1-bromo-2-trifluoromethyl benzene,o-bromobenzotrifluoride,benzene, 1-bromo-2-trifluoromethyl,2-bromo-alpha,alpha,alpha-trifluorotoluene,2-brombenzotrifluorid,o-bromobenzyltrifluoride,o-trifluoromethyl bromobenzene,2-bromotrifluorotoluene,2-brombenzotrifluorid czech PubChem CID: 9806 IUPAC Name: 1-bromo-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)Br

PubChem CID 9806
CAS 392-83-6
Molecular Weight (g/mol) 225.01
MDL Number MFCD00000373
SMILES C1=CC=C(C(=C1)C(F)(F)F)Br
Synonym 2-bromobenzotrifluoride,1-bromo-2-trifluoromethyl benzene,o-bromobenzotrifluoride,benzene, 1-bromo-2-trifluoromethyl,2-bromo-alpha,alpha,alpha-trifluorotoluene,2-brombenzotrifluorid,o-bromobenzyltrifluoride,o-trifluoromethyl bromobenzene,2-bromotrifluorotoluene,2-brombenzotrifluorid czech
IUPAC Name 1-bromo-2-(trifluoromethyl)benzene
InChI Key RWXUNIMBRXGNEP-UHFFFAOYSA-N
Molecular Formula C7H4BrF3
9

4-Iodobenzotrifluoride, 97%, Thermo Scientific Chemicals

CAS: 455-13-0 Molecular Formula: C7H4F3I Molecular Weight (g/mol): 272 MDL Number: MFCD00039398 InChI Key: SKGRFPGOGCHDPC-UHFFFAOYSA-N Synonym: 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene PubChem CID: 67993 IUPAC Name: 1-iodo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)I

PubChem CID 67993
CAS 455-13-0
Molecular Weight (g/mol) 272
MDL Number MFCD00039398
SMILES C1=CC(=CC=C1C(F)(F)F)I
Synonym 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene
IUPAC Name 1-iodo-4-(trifluoromethyl)benzene
InChI Key SKGRFPGOGCHDPC-UHFFFAOYSA-N
Molecular Formula C7H4F3I
10

2-(Trifluoromethyl)benzoyl chloride, 98%

CAS: 312-94-7 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.56 MDL Number: MFCD00000667 InChI Key: MXIUWSYTQJLIKE-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzoyl chloride,o-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-o-toluoyl chloride,2-trifluoromethyl benzoylchloride,unii-d01d0b64eq,otf-boc,2-trifluoromethyl-benzoyl chloride,o-trifluoromethyl benzoyl chloride PubChem CID: 67561 IUPAC Name: 2-(trifluoromethyl)benzoyl chloride SMILES: FC(F)(F)C1=CC=CC=C1C(Cl)=O

PubChem CID 67561
CAS 312-94-7
Molecular Weight (g/mol) 208.56
MDL Number MFCD00000667
SMILES FC(F)(F)C1=CC=CC=C1C(Cl)=O
Synonym 2-trifluoromethyl benzoyl chloride,o-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-o-toluoyl chloride,2-trifluoromethyl benzoylchloride,unii-d01d0b64eq,otf-boc,2-trifluoromethyl-benzoyl chloride,o-trifluoromethyl benzoyl chloride
IUPAC Name 2-(trifluoromethyl)benzoyl chloride
InChI Key MXIUWSYTQJLIKE-UHFFFAOYSA-N
Molecular Formula C8H4ClF3O
11

4-Bromobenzotrifluoride, 99%

CAS: 402-43-7 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.01 MDL Number: MFCD00000398 InChI Key: XLQSXGGDTHANLN-UHFFFAOYSA-N Synonym: 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene PubChem CID: 67872 IUPAC Name: 1-bromo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Br

PubChem CID 67872
CAS 402-43-7
Molecular Weight (g/mol) 225.01
MDL Number MFCD00000398
SMILES C1=CC(=CC=C1C(F)(F)F)Br
Synonym 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene
IUPAC Name 1-bromo-4-(trifluoromethyl)benzene
InChI Key XLQSXGGDTHANLN-UHFFFAOYSA-N
Molecular Formula C7H4BrF3
12

3-(Trifluoromethyl)benzoyl chloride, 98%

CAS: 2251-65-2 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.57 MDL Number: MFCD00000680 InChI Key: RUJYJCANMOTJMO-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzoyl chloride,benzoyl chloride, 3-trifluoromethyl,m-trifluoromethyl benzoyl chloride,m-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-m-toluoyl chloride,3-trifluoromethyl benzoylchloride,3-trifluoromethyl-benzoyl chloride,alpha,alpha,alpha-trifluoro-m-tolyl chloride,pubchem5468 PubChem CID: 75257 IUPAC Name: 3-(trifluoromethyl)benzoyl chloride SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl

PubChem CID 75257
CAS 2251-65-2
Molecular Weight (g/mol) 208.57
MDL Number MFCD00000680
SMILES C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl
Synonym 3-trifluoromethyl benzoyl chloride,benzoyl chloride, 3-trifluoromethyl,m-trifluoromethyl benzoyl chloride,m-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-m-toluoyl chloride,3-trifluoromethyl benzoylchloride,3-trifluoromethyl-benzoyl chloride,alpha,alpha,alpha-trifluoro-m-tolyl chloride,pubchem5468
IUPAC Name 3-(trifluoromethyl)benzoyl chloride
InChI Key RUJYJCANMOTJMO-UHFFFAOYSA-N
Molecular Formula C8H4ClF3O
13

3,5-Bis(trifluoromethyl)benzaldehyde, 97%

CAS: 401-95-6 Molecular Formula: C9H4F6O Molecular Weight (g/mol): 242.12 MDL Number: MFCD00010206 InChI Key: LDWLIXZSDPXYDR-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzaldehyde,3,5-di trifluoromethyl benzaldehyde,mbt-bad,benzaldehyde, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl-benzaldehyde,3,5-bis-trifluoromethyl benzaldehyde,pubchem4162,acmc-1ajhv,ksc490m1j PubChem CID: 136247 IUPAC Name: 3,5-bis(trifluoromethyl)benzaldehyde SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=O

PubChem CID 136247
CAS 401-95-6
Molecular Weight (g/mol) 242.12
MDL Number MFCD00010206
SMILES C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=O
Synonym 3,5-bis trifluoromethyl benzaldehyde,3,5-di trifluoromethyl benzaldehyde,mbt-bad,benzaldehyde, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl-benzaldehyde,3,5-bis-trifluoromethyl benzaldehyde,pubchem4162,acmc-1ajhv,ksc490m1j
IUPAC Name 3,5-bis(trifluoromethyl)benzaldehyde
InChI Key LDWLIXZSDPXYDR-UHFFFAOYSA-N
Molecular Formula C9H4F6O
15

3-(Trifluoromethyl)benzaldehyde, 97%

CAS: 454-89-7 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.12 MDL Number: MFCD00003373 InChI Key: NMTUHPSKJJYGML-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzaldehyde,m-trifluoromethylbenzaldehyde,benzaldehyde, 3-trifluoromethyl,alpha,alpha,alpha-trifluoro-m-tolualdehyde,alpha,alpha,alpha-trifluoro-3-tolualdehyde,unii-at7h4h5u3e,a,a,a-trifluoro-m-tolualdehyde,3-trifluoromethyl-benzaldehyde,mtf-bad,3-formylbenzotrifluoride PubChem CID: 67990 IUPAC Name: 3-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=CC(=C1)C(F)(F)F)C=O

PubChem CID 67990
CAS 454-89-7
Molecular Weight (g/mol) 174.12
MDL Number MFCD00003373
SMILES C1=CC(=CC(=C1)C(F)(F)F)C=O
Synonym 3-trifluoromethyl benzaldehyde,m-trifluoromethylbenzaldehyde,benzaldehyde, 3-trifluoromethyl,alpha,alpha,alpha-trifluoro-m-tolualdehyde,alpha,alpha,alpha-trifluoro-3-tolualdehyde,unii-at7h4h5u3e,a,a,a-trifluoro-m-tolualdehyde,3-trifluoromethyl-benzaldehyde,mtf-bad,3-formylbenzotrifluoride
IUPAC Name 3-(trifluoromethyl)benzaldehyde
InChI Key NMTUHPSKJJYGML-UHFFFAOYSA-N
Molecular Formula C8H5F3O