Benzo[b]thiophene-2-carbonyl chloride


Chemical Name: Benzo[b]thiophene-2-carbonyl chloride
CAS Number: 39827-11-7
Product Number: AG003O1M(AGN-PC-0JMSL7)
Synonyms:
MDL No:
Molecular Formula: C9H5ClOS
Molecular Weight: 196.6534

Identification/Properties


Properties
MP:
85-86 °C
BP:
309.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
196.648g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
195.975g/mol
Monoisotopic Mass:
195.975g/mol
Topological Polar Surface Area:
45.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
195
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


GHS Pictogram:
Signal Word:
Danger
UN#:
3261
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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