Isopropylsulfamoyl chloride - CAS 26118-67-2

Catalog:	BB019136
Product Name:	Isopropylsulfamoyl chloride
CAS:	26118-67-2
Synonyms:	N-propan-2-ylsulfamoyl chloride; N-propan-2-ylsulfamoyl chloride

Technical Data

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Computed Properties

IUPAC Name:	N-propan-2-ylsulfamoyl chloride
Description:	Isopropylsulfamoyl chloride (CAS# 26118-67-2) is an reactant used in the synthesis of N-Alkylsulfamic Acid Derivatives.
Molecular Weight:	157.62
Molecular Formula:	C3H8ClNO2S
Canonical SMILES:	CC(C)NS(=O)(=O)Cl
InChI:	InChI=1S/C3H8ClNO2S/c1-3(2)5-8(4,6)7/h3,5H,1-2H3
InChI Key:	AGRDPCWQGGNEQL-UHFFFAOYSA-N
Boiling Point:	211.7 ℃ at 760 mmHg
Density:	1.317 g/cm³
MDL:	MFCD09753748
LogP:	1.93970

Publication Number	Title	Priority Date
CN-112079793-A	Refining process and equipment for batch production of bentazon	20200923
CN-111269198-A	Method for continuously preparing bentazon	20200218
US-2021171500-A1	Triazole carbamate pyridyl sulfonamides as lpa receptor antagonists and uses thereof	20191115
WO-2021097039-A1	Triazole carbamate pyridyl sulfonamides as lpa receptor antagonists and uses thereof	20191115
CN-109912476-A	A kind of production technology of isopropylamino sulfonic acid chloride	20190327

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.9964274
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.9964274
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9