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Home> Encyclopedia > Hot Product Listed B   > Benzenesulfonyl chloride, 4-propyl-
146949-07-7 structure

Benzenesulfonyl chloride, 4-propyl-

Iupac Name:4-propylbenzenesulfonyl chloride
CAS No.:146949-07-7
Molecular Weight:218.695
Molecular Formula:C9H11ClO2S (isomer)
Properties
Density
1.223
Melting Point
21℃
Boiling Point
275-276℃
Vapour
0.00287mmHg at 25°C
Refractive Index
n20/D 1.5400(lit.)
Flash Point
108℃
Safety and Handling
Hazard Codes
C;
Risk Statements
R34
Safety Statements
S26;S36/37/39;S45
HazardClass
8
PackingGroup
II
Sensitive
Moisture Sensitive
Transport
UN 3265 8/PG 2
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Synthesis Route
Precursor and Product
precursor:
103-65-1
103-65-1
product :
1132-18-9
1132-18-9
Computational chemical data
  • Molecular Weight:218.695g/mol
  • Molecular Formula:C9H11ClO2S
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.1
  • Exact Mass:218.017
  • Monoisotopic Mass:218.017
  • Complexity:235
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:42.5A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwMABEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAQAAAAADACAWAAyAYAAAAKA AiBCAHBCAAAgAAAIiBgAAIgIICKAERCAIAAggAAIiAcAgIAOEAAAAAAAAAAgAAAAAAAAAAAAAAAA AA==
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