2-Methyl-3-(trifluoromethyl)benzoic acid, 98%

Name: 2-Methyl-3-(trifluoromethyl)benzoic acid
Brand: Chempure

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CAS Number

62089-35-4

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About this item

IUPAC name	2-methyl-3-(trifluoromethyl)benzoic acid
inchi	InChI=1S/C9H7F3O2/c1-5-6(8(13)14)3-2-4-7(5)9(10,11)12/h2-4H,1H3,(H,13,14)
inchi key	SSCFPSMXIDAJDT-UHFFFAOYSA-N
molecular formula	C9H7F3O2
synonyms	2-methyl-3-(trifluoromethyl)benzoic Acid 62089-35-4 2-Methyl-3-trifluoromethylbenzoic acid MFCD01631588 Benzoic acid, 2-methyl-3-(trifluoromethyl)-

Computed Properties

Molecular Weight:	204.15 g/mol
XLogP3:	2.7
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	1
Exact Mass:	204.03981395 g/mol
Monoisotopic Mass:	204.03981395 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	14
Formal Charge:	0
Complexity:	225
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: CJ9915

2-Methyl-3-(trifluoromethyl)benzoic acid, 98%

Product No: CJ9915

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?