4-甲基-3-(三氟甲基)苯甲酸

Description

4-Methyl-3-(trifluoromethyl)benzoic acid · CAS 261952-01-6 · C9H7F3O2. UNII NS00120608.

Identification

CAS Registry Number	261952-01-6
PubChem CID	2775592
Molecular formula	C9H7F3O2
IUPAC name	4-methyl-3-(trifluoromethyl)benzoic acid
UNII (FDA)	NS00120608

Computed Descriptors

Molecular Weight	204.15
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	204.03981395
Monoisotopic Mass	204.03981395
Topological Polar Surface Area	37.3
Heavy Atom Count	14
Formal Charge	0

Regulatory Status

GHS notification summary	82.6% (38 / 46)

GHS Hazard Classification

GHS notification summary	82.6% (38 / 46)
Reported hazard statements	H315 (17.4%), H319 (17.4%), H335 (15.2%)

Synonyms

4-Methyl-3-(trifluoromethyl)benzoic acid; 261952-01-6; DTXSID30379599; RefChem:99768; DTXCID30330625; 607-883-7; Benzoic acid, 4-methyl-3-(trifluoromethyl)-; MFCD01631592; 4-methyl-3-trifluoromethylbenzoic acid; 4-Methyl-3-(trifluoromethyl)benzoicacid; 3-trifluoromethyl-4-methyl benzoic acid; 4-methyl-3-trifluoromethyl-benzoic acid; 3-(trifluoromethyl)-4-methylbenzoic acid; SCHEMBL374174; SCHEMBL6304560; SCHEMBL29528380

Frequently Asked Questions

What are the CAS number and molecular formula of 4-Methyl-3-(trifluoromethyl)benzoic acid?

CAS 261952-01-6; molecular formula C9H7F3O2; molecular weight — g/mol.

What other names is 4-Methyl-3-(trifluoromethyl)benzoic acid known by?

4-Methyl-3-(trifluoromethyl)benzoic acid, 261952-01-6, DTXSID30379599, RefChem:99768, DTXCID30330625, 607-883-7.

Is 4-Methyl-3-(trifluoromethyl)benzoic acid classified as hazardous?

82.6% of GHS notifications report no hazard classification (38 of 46).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.