(2-Cyanophenyl)methanesulfonyl Chloride - CAS 51045-34-2

Catalog:	BB027307
Product Name:	(2-Cyanophenyl)methanesulfonyl Chloride
CAS:	51045-34-2
Synonyms:	(2-cyanophenyl)methanesulfonyl chloride; (2-cyanophenyl)methanesulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	(2-cyanophenyl)methanesulfonyl chloride
Description:	(2-Cyanophenyl)methanesulfonyl Chloride (CAS# 51045-34-2) is a useful research chemical.
Molecular Weight:	215.66
Molecular Formula:	C8H6ClNO2S
Canonical SMILES:	C1=CC=C(C(=C1)CS(=O)(=O)Cl)C#N
InChI:	InChI=1S/C8H6ClNO2S/c9-13(11,12)6-8-4-2-1-3-7(8)5-10/h1-4H,6H2
InChI Key:	OJOPRZBXIJOTKB-UHFFFAOYSA-N
Boiling Point:	357.679 °C at 760 mmHg
Density:	1.459 g/cm³
LogP:	2.70768

Publication Number	Title	Priority Date
WO-2020142612-A1	Pyrido-pyrimidinone and pteridinone compounds as inhibitors of endoribonuclease inositol requiring enzyme i (ire i alpha) for the treatment of cancer diseases.	20190103
TW-202039466-A	Pyrido-pyrimidinone and pteridinone compounds and methods of use	20190103
CN-113508115-A	Pyridopyrimidinone and pteridinone compounds as inhibitors of endoribonuclease inositol requiring enzyme I (IRE I A) for the treatment of cancer diseases	20190103
AU-2018233402-A1	Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating ire1-related diseases and disorders	20170317
CA-3056833-A1	Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating ire1-related diseases and disorders	20170317

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GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501
Signal Word:	Danger

Complexity:	311
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.9807773
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	214.9807773
Rotatable Bond Count:	2
Topological Polar Surface Area:	66.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6