Benzoyl chloride, 4-cyano-


Chemical Name: Benzoyl chloride, 4-cyano-
CAS Number: 6068-72-0
Product Number: AG003L97(AGN-PC-0JLSHF)
Synonyms:
MDL No:
Molecular Formula: C8H4ClNO
Molecular Weight: 165.5765

Identification/Properties


Properties
MP:
66-70°C
BP:
289.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Stability:
Moisture Sensitive
Refractive Index:
1.5430 (estimate)
Computed Properties
Molecular Weight:
165.576g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
164.998g/mol
Monoisotopic Mass:
164.998g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
197
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#:
3265
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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