2-phenylbutanoyl chloride


Chemical Name: 2-phenylbutanoyl chloride
CAS Number: 36854-57-6
Product Number: AG003HVD(AGN-PC-0JM2W7)
Synonyms:
MDL No: MFCD00018811
Molecular Formula: C10H11ClO
Molecular Weight: 182.6467

Identification/Properties


Properties
BP:
242.3°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
n20/D 1.516(lit.)
Computed Properties
Molecular Weight:
182.647g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
182.05g/mol
Monoisotopic Mass:
182.05g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
150
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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