Isobutanesulfonyl chloride - CAS 35432-36-1

Catalog:	BB022635
Product Name:	Isobutanesulfonyl chloride
CAS:	35432-36-1
Synonyms:	2-methylpropane-1-sulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	2-methylpropane-1-sulfonyl chloride
Description:	Isobutanesulfonyl chloride (CAS# 35432-36-1) is a useful research chemical.
Molecular Weight:	156.63
Molecular Formula:	C4H9ClO2S
Canonical SMILES:	CC(C)CS(=O)(=O)Cl
InChI:	InChI=1S/C4H9ClO2S/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3
InChI Key:	NQLNHTOCFWUYQE-UHFFFAOYSA-N
Boiling Point:	190 °C at 760 mmHg
Purity:	95 %
Density:	1.200 g/cm³
Appearance:	Colorless to light yellow liquid
Storage:	Keep container tightly closed. Store under inert gas.
MDL:	MFCD07369800
LogP:	2.29180

Publication Number	Title	Priority Date
CN-111548279-A	Synthetic method of 2- (dimethylamino) -3- (2- (3-methoxyphenethyl) phenoxy) propan-1-ol	20200527
WO-2021130255-A1	Dihydro-cyclopenta-isoquinoline derivatives	20191223
WO-2021127499-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20191218
WO-2021061823-A1	Chemical compounds	20190923
WO-2021048342-A1	Antibacterial compounds	20190913

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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:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.0011784
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.0011784
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7