2-Fluorobenzylsulfonyl Chloride - CAS 24974-71-8

Catalog:	BB018686
Product Name:	2-Fluorobenzylsulfonyl Chloride
CAS:	24974-71-8
Synonyms:	(2-fluorophenyl)methanesulfonyl chloride; (2-fluorophenyl)methanesulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	(2-fluorophenyl)methanesulfonyl chloride
Description:	2-Fluorobenzylsulfonyl Chloride (CAS# 24974-71-8) is a useful research chemical.
Molecular Weight:	208.64
Molecular Formula:	C7H6ClFO2S
Canonical SMILES:	C1=CC=C(C(=C1)CS(=O)(=O)Cl)F
InChI:	InChI=1S/C7H6ClFO2S/c8-12(10,11)5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChI Key:	CJDWSUDXKHLMCY-UHFFFAOYSA-N
Boiling Point:	289 °C at 760 mmHg
Density:	1.465 g/cm³
Appearance:	Solid
MDL:	MFCD04117455
LogP:	2.97510

Publication Number	Title	Priority Date
WO-2020176765-A1	Pyrazolopyridine compounds for ire1 inhibition	20190227
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
WO-2020056089-A1	Phenoxy-pyridyl-pyrimidine compounds and methods of use	20180912

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.9761065
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.9761065
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2