3-Phenoxybenzoic acid, 98%

Name: 3-Phenoxybenzoic acid
Brand: Chempure

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CAS Number

3739-38-6

Molecular Weight

214.22

Formula

C13H10O3

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IUPAC name	3-phenoxybenzoic acid
inchi	InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
inchi key	NXTDJHZGHOFSQG-UHFFFAOYSA-N
molecular formula	C13H10O3
synonyms	3-Phenoxybenzoic acid 3739-38-6 m-Phenoxybenzoic acid Benzoic acid, 3-phenoxy- 3-PBA
Compound Description	3-phenoxybenzoic acid is a phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides. It has a role as a human xenobiotic metabolite and a marine xenobiotic metabolite.

Computed Properties

Molecular Weight:	214.22 g/mol
XLogP3:	3.9
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	3
Exact Mass:	214.062994177 g/mol
Monoisotopic Mass:	214.062994177 g/mol
Topological Polar Surface Area:	46.5 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	233
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 (98.6%) Aquatic Acute 1 (93.2%)
precautionary statement codes	P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, 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 (98.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (93.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

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Product No: AB3593

3-Phenoxybenzoic acid, 98%

Product No: AB3593

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Product No: AB3593

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NAME AND IDENTIFIERS

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SAFETY AND HAZARDS

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