Benzenethiol, 3,4-dichloro-


Chemical Name: Benzenethiol, 3,4-dichloro-
CAS Number: 5858-17-3
Product Number: AG003IGJ(AGN-PC-0JLSCS)
Synonyms:
MDL No:
Molecular Formula: C6H4Cl2S
Molecular Weight: 179.0670

Identification/Properties


Properties
MP:
21°C
BP:
255.6°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Stability:
Stench
Refractive Index:
n20/D 1.623(lit.)
Computed Properties
Molecular Weight:
179.058g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
177.941g/mol
Monoisotopic Mass:
177.941g/mol
Topological Polar Surface Area:
1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
97.1
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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