1-Propanesulfonyl chloride - CAS 10147-36-1

Catalog:	BB000516
Product Name:	1-Propanesulfonyl chloride
CAS:	10147-36-1
Synonyms:	propane-1-sulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	propane-1-sulfonyl chloride
Description:	1-Propanesulfonyl chloride (CAS# 10147-36-1) is a useful research chemical.
Molecular Weight:	142.60
Molecular Formula:	C3H7ClO2S
Canonical SMILES:	CCCS(=O)(=O)Cl
InChI:	InChI=1S/C3H7ClO2S/c1-2-3-7(4,5)6/h2-3H2,1H3
InChI Key:	KPBSJEBFALFJTO-UHFFFAOYSA-N
Boiling Point:	78-79 °C (15 mmHg)
Melting Point:	-46 °C
Purity:	95 %
Density:	1.267 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00007462
LogP:	2.04580

Publication Number	Title	Priority Date
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CN-112358403-B	Method for preparing pentazocine intermediate	20201228
CN-112142656-A	Sulfonyl pyridine amide derivatives and preparation method thereof	20201023

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Related Functional Groups

Sulfur Compounds

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[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[1778-09-2]
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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, P337+P313, P363, 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:	141.9855283
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	141.9855283
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3