2-Benzothiazolecarbonyl chloride


Chemical Name: 2-Benzothiazolecarbonyl chloride
CAS Number: 67748-61-2
Product Number: AG003DH5(AGN-PC-0KKXEC)
Synonyms:
MDL No:
Molecular Formula: C8H4ClNOS
Molecular Weight: 197.6415

Identification/Properties


Properties
MP:
150℃ (dec.)
Form:
Solid
Computed Properties
Molecular Weight:
197.636g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
196.97g/mol
Monoisotopic Mass:
196.97g/mol
Topological Polar Surface Area:
58.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
200
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:
H302-H312-H314-H332
Precautionary Statements:
P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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