4-Chlorothiophene-2-carboxylic Acid - CAS 59614-95-8

Catalog:	BB030435
Product Name:	4-Chlorothiophene-2-carboxylic Acid
CAS:	59614-95-8
Synonyms:	4-chloro-2-thiophenecarboxylic acid; 4-chlorothiophene-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	4-chlorothiophene-2-carboxylic acid
Description:	4-Chlorothiophene-2-carboxylic Acid (CAS# 59614-95-8) is a useful research chemical.
Molecular Weight:	162.59
Molecular Formula:	C5H3ClO2S
Canonical SMILES:	C1=C(SC=C1Cl)C(=O)O
InChI:	InChI=1S/C5H3ClO2S/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H,7,8)
InChI Key:	JWQMRBBWZUKWFJ-UHFFFAOYSA-N
Boiling Point:	298 °C / 760 mmHg
Density:	1.572 g/cm³
Appearance:	White powder
Storage:	Keep in dark place. Inert atmosphere. Keep cold.
MDL:	MFCD00082876
LogP:	2.09970

Publication Number	Title	Priority Date
CN-111020804-A	Processing method of moisture-absorbing heating type blended fabric	20191129
CN-111020804-B	Processing method of moisture-absorbing heating type blended fabric	20191129
WO-2020102096-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181113
TW-202031647-A	Compounds and compositions for treating conditions associated with nlrp activity	20181113
CN-113166065-A	Compounds and compositions for treating conditions associated with NLRP activity	20181113

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.9542282
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.9542282
Rotatable Bond Count:	1
Topological Polar Surface Area:	65.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1