Benzenepropanoyl chloride


Chemical Name: Benzenepropanoyl chloride
CAS Number: 645-45-4
Product Number: AG003JVT(AGN-PC-0TCZ9E)
Synonyms:
MDL No:
Molecular Formula: C9H9ClO
Molecular Weight: 168.6202

Identification/Properties


Properties
MP:
−7-−5 °C(lit.)
BP:
107 °C11 mm Hg(lit.)
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
n20/D 1.5265(lit.)
Computed Properties
Molecular Weight:
168.62g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
168.034g/mol
Monoisotopic Mass:
168.034g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
128
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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