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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2-(Trifluoromethyl)benzaldehyde, 98%

CAS: 447-61-0 Formule moléculaire: C8H5F3O Poids moléculaire (g/mol): 174.122 Numéro MDL: MFCD00003337 Clé InChI: ZDVRPKUWYQVVDX-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 123067 Nom IUPAC: 2-(trifluoromethyl)benzaldehyde SMILES: C1=CC=C(C(=C1)C=O)C(F)(F)F

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Poids moléculaire (g/mol)	174.122
Synonyme	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
Numéro MDL	MFCD00003337
CAS	447-61-0
CID PubChem	123067
Nom IUPAC	2-(trifluoromethyl)benzaldehyde
Clé InChI	ZDVRPKUWYQVVDX-UHFFFAOYSA-N
SMILES	C1=CC=C(C(=C1)C=O)C(F)(F)F
Formule moléculaire	C8H5F3O

2-Fluoro-4-(trifluoromethyl)benzeneboronic acid, 97%

CAS: 503309-11-3 Formule moléculaire: C7H5BF4O2 Poids moléculaire (g/mol): 207.919 Numéro MDL: MFCD03094995 Clé InChI: SSFSVKVWAURAAM-UHFFFAOYSA-N Synonyme: 2-fluoro-4-trifluoromethyl phenylboronic acid,2-fluoro-4-trifluoromethylphenylboronic acid,2-fluoro-4-trifluoromethyl benzeneboronic acid,2-fluoro-4-trifluoromethyl phenyl boronic acid,boronic acid, 2-fluoro-4-trifluoromethyl phenyl,pubchem1859,acmc-209klg,ksc269g4l,4-borono-3-fluorobenzotrifluoride CID PubChem: 16414145 Nom IUPAC: [2-fluoro-4-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1)C(F)(F)F)F)(O)O

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Poids moléculaire (g/mol)	207.919
Synonyme	2-fluoro-4-trifluoromethyl phenylboronic acid,2-fluoro-4-trifluoromethylphenylboronic acid,2-fluoro-4-trifluoromethyl benzeneboronic acid,2-fluoro-4-trifluoromethyl phenyl boronic acid,boronic acid, 2-fluoro-4-trifluoromethyl phenyl,pubchem1859,acmc-209klg,ksc269g4l,4-borono-3-fluorobenzotrifluoride
Numéro MDL	MFCD03094995
CAS	503309-11-3
CID PubChem	16414145
Nom IUPAC	[2-fluoro-4-(trifluoromethyl)phenyl]boronic acid
Clé InChI	SSFSVKVWAURAAM-UHFFFAOYSA-N
SMILES	B(C1=C(C=C(C=C1)C(F)(F)F)F)(O)O
Formule moléculaire	C7H5BF4O2

2-Chloro-5-nitrobenzotrifluoride, 98%

CAS: 777-37-7 Formule moléculaire: C7H3ClF3NO2 Poids moléculaire (g/mol): 225.55 Numéro MDL: MFCD00007296 Clé InChI: HQROXDLWVGFPDE-UHFFFAOYSA-N Synonyme: 2-chloro-5-nitrobenzotrifluoride,1-chloro-4-nitro-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl nitrobenzene,benzene, 1-chloro-4-nitro-2-trifluoromethyl,3-trifluoromethyl-4-chloronitrobenzene,2-trifluoromethyl-4-nitrochlorobenzene,2-chloro-5-nitro-a,a,a-trifluorotoluene,4-nitro-2-trifluoromethyl chlorobenzene,1-chloro-2-trifluoromethyl-4-nitrobenzene,5-nitro-2-chlorobenzotrifluoride CID PubChem: 61213 Nom IUPAC: 1-chloro-4-nitro-2-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC=C(Cl)C(=C1)C(F)(F)F

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Poids moléculaire (g/mol)	225.55
Synonyme	2-chloro-5-nitrobenzotrifluoride,1-chloro-4-nitro-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl nitrobenzene,benzene, 1-chloro-4-nitro-2-trifluoromethyl,3-trifluoromethyl-4-chloronitrobenzene,2-trifluoromethyl-4-nitrochlorobenzene,2-chloro-5-nitro-a,a,a-trifluorotoluene,4-nitro-2-trifluoromethyl chlorobenzene,1-chloro-2-trifluoromethyl-4-nitrobenzene,5-nitro-2-chlorobenzotrifluoride
Numéro MDL	MFCD00007296
CAS	777-37-7
CID PubChem	61213
Nom IUPAC	1-chloro-4-nitro-2-(trifluoromethyl)benzene
Clé InChI	HQROXDLWVGFPDE-UHFFFAOYSA-N
SMILES	[O-][N+](=O)C1=CC=C(Cl)C(=C1)C(F)(F)F
Formule moléculaire	C7H3ClF3NO2

1-Nitro-3,5-bis(trifluoromethyl)benzene, 96%

CAS: 328-75-6 Formule moléculaire: C8H3F6NO2 Poids moléculaire (g/mol): 259.11 Numéro MDL: MFCD00000384 Clé InChI: GMUWJDVVXLBMEZ-UHFFFAOYSA-N Synonyme: 1-nitro-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl nitrobenzene,1,3-bis trifluoromethyl-5-nitrobenzene,3,5-di trifluoromethyl nitrobenzene,benzene, 1-nitro-3,5-bis trifluoromethyl,3,5-bis-trifluoromethylnitrobenzene,3,5-di trifluoromethylnitro benzene,3,5-bis-trifluoromethyl nitrobenzene,5-nitro-1,3-bis trifluoromethyl benzene,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-5-nitroxylene CID PubChem: 67603 Nom IUPAC: 1-nitro-3,5-bis(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

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Poids moléculaire (g/mol)	259.11
Synonyme	1-nitro-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl nitrobenzene,1,3-bis trifluoromethyl-5-nitrobenzene,3,5-di trifluoromethyl nitrobenzene,benzene, 1-nitro-3,5-bis trifluoromethyl,3,5-bis-trifluoromethylnitrobenzene,3,5-di trifluoromethylnitro benzene,3,5-bis-trifluoromethyl nitrobenzene,5-nitro-1,3-bis trifluoromethyl benzene,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-5-nitroxylene
Numéro MDL	MFCD00000384
CAS	328-75-6
CID PubChem	67603
Nom IUPAC	1-nitro-3,5-bis(trifluoromethyl)benzene
Clé InChI	GMUWJDVVXLBMEZ-UHFFFAOYSA-N
SMILES	[O-][N+](=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Formule moléculaire	C8H3F6NO2

Methyl 4-(trifluoromethyl)benzoate, 98%

CAS: 2967-66-0 Formule moléculaire: C9H7F3O2 Poids moléculaire (g/mol): 204.15 Numéro MDL: MFCD00042324 Clé InChI: VAZWXPJOOFSNLB-UHFFFAOYSA-N Synonyme: methyl 4-trifluoromethyl benzoate,methyl-4-trifluoromethyl benzoate,4-trifluoromethyl benzoic acid methyl ester,methyl-4-trifluoromethylbenzoate,3-cf3-c6h4-cooch3,methyl p-trifluoromethyl benzoate,methyl alpha,alpha,alpha-trifluoro-p-toluate,benzoic acid, 4-trifluoromethyl-, methyl ester,pubchem14120,acmc-209hab CID PubChem: 520447 Nom IUPAC: methyl 4-(trifluoromethyl)benzoate SMILES: COC(=O)C1=CC=C(C=C1)C(F)(F)F

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Poids moléculaire (g/mol)	204.15
Synonyme	methyl 4-trifluoromethyl benzoate,methyl-4-trifluoromethyl benzoate,4-trifluoromethyl benzoic acid methyl ester,methyl-4-trifluoromethylbenzoate,3-cf3-c6h4-cooch3,methyl p-trifluoromethyl benzoate,methyl alpha,alpha,alpha-trifluoro-p-toluate,benzoic acid, 4-trifluoromethyl-, methyl ester,pubchem14120,acmc-209hab
Numéro MDL	MFCD00042324
CAS	2967-66-0
CID PubChem	520447
Nom IUPAC	methyl 4-(trifluoromethyl)benzoate
Clé InChI	VAZWXPJOOFSNLB-UHFFFAOYSA-N
SMILES	COC(=O)C1=CC=C(C=C1)C(F)(F)F
Formule moléculaire	C9H7F3O2

Trifluoromethylbenzenes

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