Butanoic acid, 4-chloro-


Chemical Name: Butanoic acid, 4-chloro-
CAS Number: 627-00-9
Product Number: AG003L72(AGN-PC-0JKAIQ)
Synonyms:
MDL No:
Molecular Formula: C4H7ClO2
Molecular Weight: 122.5502

Identification/Properties


Properties
MP:
12-16 °C(lit.);
BP:
196°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.451(lit.)
Computed Properties
Molecular Weight:
122.548g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
122.013g/mol
Monoisotopic Mass:
122.013g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
62.7
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-H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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