2-Fluorobenzoic acid, 95%

Name: 2-Fluorobenzoic acid
Brand: Chempure

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CAS Number

445-29-4

Molecular Weight

140.11

Formula

FC6H4CO2H

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IUPAC name	2-fluorobenzoic acid
inchi	InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
inchi key	NSTREUWFTAOOKS-UHFFFAOYSA-N
molecular formula	C7H5FO2
synonyms	2-FLUOROBENZOIC ACID 445-29-4 o-Fluorobenzoic acid Benzoic acid, 2-fluoro- Benzoic acid, o-fluoro-
Compound Description	2-fluorobenzoic acid is a 2-halobenzoic acid that is benzoic acid carrying a fluoro substituent at position 2. It is a fluorobenzoic acid and a 2-halobenzoic acid. It is a conjugate acid of a 2-fluorobenzoate.

Computed Properties

Molecular Weight:	140.11 g/mol
XLogP3:	1.8
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Exact Mass:	140.02735756 g/mol
Monoisotopic Mass:	140.02735756 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	136
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. 2 (21.6%) STOT SE 3 (98%)
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 (21.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	Intravenous LD50 (mouse) = 180 mg/kg. A skin and strong eye irritant. See o-Chlorobenzoic acid.

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Product No: AA7759

2-Fluorobenzoic acid, 95%

Product No: AA7759

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NAME AND IDENTIFIERS

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SAFETY AND HAZARDS

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