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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Niflumic acid, 99+%

CAS: 4394-00-7 Formule moléculaire: C13H9F3N2O2 Poids moléculaire (g/mol): 282.22 Numéro MDL: MFCD00010569 Clé InChI: JZFPYUNJRRFVQU-UHFFFAOYSA-N Synonyme: niflumic acid,nifluril,landruma,forenol,actol,acido niflumico,nifluminic acid,acide niflumique,acidum niflumicum,acide niflumique inn-french CID PubChem: 4488 ChEBI: CHEBI:34888 Nom IUPAC: 2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid SMILES: OC(=O)C1=CC=CN=C1NC1=CC=CC(=C1)C(F)(F)F

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Poids moléculaire (g/mol)	282.22
Synonyme	niflumic acid,nifluril,landruma,forenol,actol,acido niflumico,nifluminic acid,acide niflumique,acidum niflumicum,acide niflumique inn-french
Numéro MDL	MFCD00010569
CAS	4394-00-7
CID PubChem	4488
ChEBI	CHEBI:34888
Nom IUPAC	2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid
Clé InChI	JZFPYUNJRRFVQU-UHFFFAOYSA-N
SMILES	OC(=O)C1=CC=CN=C1NC1=CC=CC(=C1)C(F)(F)F
Formule moléculaire	C13H9F3N2O2

3-(Trifluoromethyl)benzoyl chloride, 97%

CAS: 2251-65-2 Formule moléculaire: C8H4ClF3O Poids moléculaire (g/mol): 208.564 Numéro MDL: MFCD00000680 Clé InChI: RUJYJCANMOTJMO-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 75257 Nom IUPAC: 3-(trifluoromethyl)benzoyl chloride SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl

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Poids moléculaire (g/mol)	208.564
Synonyme	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
Numéro MDL	MFCD00000680
CAS	2251-65-2
CID PubChem	75257
Nom IUPAC	3-(trifluoromethyl)benzoyl chloride
Clé InChI	RUJYJCANMOTJMO-UHFFFAOYSA-N
SMILES	C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl
Formule moléculaire	C8H4ClF3O

4-(Trifluoromethyl)benzoic acid, 98+%

CAS: 455-24-3 Formule moléculaire: C8H5F3O2 Poids moléculaire (g/mol): 190.121 Numéro MDL: MFCD00002562 Clé InChI: SWKPKONEIZGROQ-UHFFFAOYSA-N Synonyme: 4-trifluoromethyl benzoic acid,p-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-p-toluic acid,benzoic acid, 4-trifluoromethyl,p-carboxybenzotrifluoride,4-trifluoromethyl-benzoic acid,a,a,a-trifluoro-p-toluic acid,ptf-boa,4-carboxybenzotrifluoride CID PubChem: 9966 ChEBI: CHEBI:60696 Nom IUPAC: 4-(trifluoromethyl)benzoic acid SMILES: C1=CC(=CC=C1C(=O)O)C(F)(F)F

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Poids moléculaire (g/mol)	190.121
Synonyme	4-trifluoromethyl benzoic acid,p-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-p-toluic acid,benzoic acid, 4-trifluoromethyl,p-carboxybenzotrifluoride,4-trifluoromethyl-benzoic acid,a,a,a-trifluoro-p-toluic acid,ptf-boa,4-carboxybenzotrifluoride
Numéro MDL	MFCD00002562
CAS	455-24-3
CID PubChem	9966
ChEBI	CHEBI:60696
Nom IUPAC	4-(trifluoromethyl)benzoic acid
Clé InChI	SWKPKONEIZGROQ-UHFFFAOYSA-N
SMILES	C1=CC(=CC=C1C(=O)O)C(F)(F)F
Formule moléculaire	C8H5F3O2

4-Chlorobenzotrifluoride, 98%

CAS: 98-56-6 Formule moléculaire: C₇H₄ClF₃ Poids moléculaire (g/mol): 180.56 Numéro MDL: MFCD00000627 Clé InChI: QULYNCCPRWKEMF-UHFFFAOYSA-N Synonyme: 4-chlorobenzotrifluoride,p-chlorobenzotrifluoride,1-chloro-4-trifluoromethyl benzene,benzene, 1-chloro-4-trifluoromethyl,4-chloro-alpha,alpha,alpha-trifluorotoluene,para-chlorobenzotrifluoride,p-chlorophenyl trifluoromethane,p-chloro-a,a,a-trifluorotoluene,pcbtf,p-chlorotrifluoromethylbenzene CID PubChem: 7394 Nom IUPAC: 1-chloro-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Cl

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Poids moléculaire (g/mol)	180.56
Synonyme	4-chlorobenzotrifluoride,p-chlorobenzotrifluoride,1-chloro-4-trifluoromethyl benzene,benzene, 1-chloro-4-trifluoromethyl,4-chloro-alpha,alpha,alpha-trifluorotoluene,para-chlorobenzotrifluoride,p-chlorophenyl trifluoromethane,p-chloro-a,a,a-trifluorotoluene,pcbtf,p-chlorotrifluoromethylbenzene
Numéro MDL	MFCD00000627
CAS	98-56-6
CID PubChem	7394
Nom IUPAC	1-chloro-4-(trifluoromethyl)benzene
Clé InChI	QULYNCCPRWKEMF-UHFFFAOYSA-N
SMILES	C1=CC(=CC=C1C(F)(F)F)Cl
Formule moléculaire	C₇H₄ClF₃

3-(Trifluoromethyl)benzyl mercaptan, tech. 90%

CAS: 25697-55-6 Formule moléculaire: C8H7F3S Poids moléculaire (g/mol): 192.199 Numéro MDL: MFCD00042435 Clé InChI: CQIQWIMXCPTQPJ-UHFFFAOYSA-N Synonyme: 3-trifluoromethyl benzyl mercaptan,3-trifluoromethyl phenyl methanethiol,3-trifluoromethylbenzyl mercaptan,3-trifluoromethyl phenylmethanethiol,3-trifluoromethyl benzylthiol,m-trifluoromethylbenzyl mercaptan,3-trifluoromethyl benzylmercaptan,3-trifluoromethyl phenyl methane-1-thiol,acmc-1cnzu CID PubChem: 141236 Nom IUPAC: [3-(trifluoromethyl)phenyl]methanethiol SMILES: C1=CC(=CC(=C1)C(F)(F)F)CS

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Poids moléculaire (g/mol)	192.199
Synonyme	3-trifluoromethyl benzyl mercaptan,3-trifluoromethyl phenyl methanethiol,3-trifluoromethylbenzyl mercaptan,3-trifluoromethyl phenylmethanethiol,3-trifluoromethyl benzylthiol,m-trifluoromethylbenzyl mercaptan,3-trifluoromethyl benzylmercaptan,3-trifluoromethyl phenyl methane-1-thiol,acmc-1cnzu
Numéro MDL	MFCD00042435
CAS	25697-55-6
CID PubChem	141236
Nom IUPAC	[3-(trifluoromethyl)phenyl]methanethiol
Clé InChI	CQIQWIMXCPTQPJ-UHFFFAOYSA-N
SMILES	C1=CC(=CC(=C1)C(F)(F)F)CS
Formule moléculaire	C8H7F3S

4-(Trifluoromethyl)styrene, 98+%, stabilized with 0.1% 4-tert-butylcatechol

CAS: 402-50-6 Formule moléculaire: C₉H₇F₃ Poids moléculaire (g/mol): 172.15 Numéro MDL: MFCD00075539 Clé InChI: CEWDRCQPGANDRS-UHFFFAOYSA-N Synonyme: 1-trifluoromethyl-4-vinylbenzene,4-trifluoromethyl styrene,4-trifluoromethylstyrene,1-ethenyl-4-trifluoromethyl benzene,4-vinylbenzotrifluoride,1-trifluoromethyl-4-vinyl-benzene,4-trifluoromethystyrene,p-trifluoromethylstyrene,pubchem15485,acmc-1aivr CID PubChem: 2782798 Nom IUPAC: 1-ethenyl-4-(trifluoromethyl)benzene SMILES: C=CC1=CC=C(C=C1)C(F)(F)F

Trifluoromethylbenzenes

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