Benzoyl chloride, 4-(chloromethyl)-


Chemical Name: Benzoyl chloride, 4-(chloromethyl)-
CAS Number: 876-08-4
Product Number: AG003K6U(AGN-PC-0JL9HP)
Synonyms:
MDL No:
Molecular Formula: C8H6Cl2O
Molecular Weight: 189.0386

Identification/Properties


Properties
MP:
30-32 °C(lit.)
BP:
126-128 °C6 mm Hg(lit.)
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5605 (estimate)
Computed Properties
Molecular Weight:
189.035g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
187.98g/mol
Monoisotopic Mass:
187.98g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
139
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-H335
Precautionary Statements:
P261-P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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