3-Isoxazolecarbonyl chloride, 5-methyl-


Chemical Name: 3-Isoxazolecarbonyl chloride, 5-methyl-
CAS Number: 39499-34-8
Product Number: AG00BZHV(AGN-PC-0KK854)
Synonyms:
MDL No:
Molecular Formula: C5H4ClNO2
Molecular Weight: 145.5438

Identification/Properties


Properties
BP:
243.7°C at 760 mmHg
Form:
Liquid
Stability:
Moisture Sensitive
Computed Properties
Molecular Weight:
145.542g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
144.993g/mol
Monoisotopic Mass:
144.993g/mol
Topological Polar Surface Area:
43.1A^2
Heavy Atom Count:
9
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:
H314-H318
Precautionary Statements:
P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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