3-(3-Chlorophenyl)isoxazole-5-carboxylic acid, 98%

Name: 3-(3-Chlorophenyl)isoxazole-5-carboxylic acid
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

100517-43-9

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About this item

IUPAC name	3-(3-chlorophenyl)-1,2-oxazole-5-carboxylic acid
inchi	InChI=1S/C10H6ClNO3/c11-7-3-1-2-6(4-7)8-5-9(10(13)14)15-12-8/h1-5H,(H,13,14)
inchi key	HNYLKRYOMWDUOY-UHFFFAOYSA-N
molecular formula	C10H6ClNO3
synonyms	100517-43-9 3-(3-chlorophenyl)-1,2-oxazole-5-carboxylic acid 3-(3-CHLORO-PHENYL)-ISOXAZOLE-5-CARBOXYLIC ACID 3-(3-chlorophenyl)isoxazole-5-carboxylic acid MFCD06796126

Computed Properties

Molecular Weight:	223.61 g/mol
XLogP3:	2.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	2
Exact Mass:	223.0036207 g/mol
Monoisotopic Mass:	223.0036207 g/mol
Topological Polar Surface Area:	63.3 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	249
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 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AX2070

3-(3-Chlorophenyl)isoxazole-5-carboxylic acid, 98%

Product No: AX2070

About this item

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Certificate of Analysis

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Product No: AX2070

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?