3-Nitro-5-(trifluoromethyl)benzoic acid, 98%

Name: 3-Nitro-5-(trifluoromethyl)benzoic acid
Brand: Chempure

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CAS Number

328-80-3

Molecular Weight

235.12

Formula

C8H4F3NO4

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About this item

IUPAC name	3-nitro-5-(trifluoromethyl)benzoic acid
inchi	InChI=1S/C8H4F3NO4/c9-8(10,11)5-1-4(7(13)14)2-6(3-5)12(15)16/h1-3H,(H,13,14)
inchi key	ODCLHXGXGFBBTA-UHFFFAOYSA-N
molecular formula	C8H4F3NO4
synonyms	3-Nitro-5-(trifluoromethyl)benzoic acid 328-80-3 3-Nitro-5-trifluoromethylbenzoic acid 3-Trifluoromethyl-5-nitrobenzoic Acid MFCD00024509

Computed Properties

Molecular Weight:	235.12 g/mol
XLogP3:	2.2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	7
Rotatable Bond Count:	1
Exact Mass:	235.00924210 g/mol
Monoisotopic Mass:	235.00924210 g/mol
Topological Polar Surface Area:	83.1 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	299
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	Acute Tox. 4 (80.9%) Skin Irrit. 2 (19.1%) Eye Irrit. 2A (100%) STOT SE 3 (17%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (80.9%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (19.1%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (17%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: AA8300

3-Nitro-5-(trifluoromethyl)benzoic acid, 98%

Product No: AA8300

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?