2- Hydroxyethanesulfony l Chloride - CAS 78303-70-5

Catalog:	BB060964
Product Name:	2- Hydroxyethanesulfony l Chloride
CAS:	78303-70-5
Synonyms:	2-hydroxyethane-1-sulfonyl chloride; 2-hydroxyethanesulfonyl chloride; Ethanesulfonyl chloride, 2-hydroxy-; 2-hydroxyethane-1-sulfonylchloride

Technical Data

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Computed Properties

IUPAC Name:	2-hydroxyethanesulfonyl chloride
Description:	2- Hydroxyethanesulfony l Chloride is a reagent used in the chemoselective transformation of amide bonds.
Molecular Weight:	144.58
Molecular Formula:	C2H5ClO3S
Canonical SMILES:	C(CS(=O)(=O)Cl)O
InChI:	InChI=1S/C2H5ClO3S/c3-7(5,6)2-1-4/h4H,1-2H2
InChI Key:	LRMHQHUZLWXMEQ-UHFFFAOYSA-N
References:	Rohmer, K. et al. Israel J. Chem., 55, 437 (2015).

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	120
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.9647929
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	143.9647929
Rotatable Bond Count:	2
Topological Polar Surface Area:	62.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3