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5-chlorobenzo[b]thiophene-2-carboxylic Acid

5-chlorobenzo[b]thiophene-2-carboxylic Acid - CAS 13771-75-0

Catalog:	BB008634
Product Name:	5-chlorobenzo[b]thiophene-2-carboxylic Acid
CAS:	13771-75-0
Synonyms:	5-chloro-1-benzothiophene-2-carboxylic acid; 5-chloro-1-benzothiophene-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-chloro-1-benzothiophene-2-carboxylic acid
Description:	5-chlorobenzo[b]thiophene-2-carboxylic Acid (CAS# 13771-75-0) is a useful research chemical.
Molecular Weight:	212.65
Molecular Formula:	C9H5ClO2S
Canonical SMILES:	C1=CC2=C(C=C1Cl)C=C(S2)C(=O)O
InChI:	InChI=1S/C9H5ClO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChI Key:	PKIXUVKUGMYKRU-UHFFFAOYSA-N
Boiling Point:	408.6 °C at 760 mmHg
Density:	1.546 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD01927183
LogP:	3.25290

Publication Number	Title	Priority Date
KR-20150095606-A	Slurry Composition for Chemical Mechanical Polishing	20150803
WO-2016191366-A1	MODULATORS FOR NICOTINIC ACETYLCHOLINE RECEPTOR Î±2 AND Î±4 SUBUNITS	20150528
AU-2015362790-A1	Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors	20141216
CA-2971413-A1	Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors	20141216
EP-3233087-B1	Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors	20141216

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.9698783
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	211.9698783
Rotatable Bond Count:	1
Topological Polar Surface Area:	65.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4