4-Isoxazolecarbonyl chloride, 3,5-dimethyl-


Chemical Name: 4-Isoxazolecarbonyl chloride, 3,5-dimethyl-
CAS Number: 31301-45-8
Product Number: AG003IP0(AGN-PC-0KK7P3)
Synonyms:
MDL No: MFCD00052555
Molecular Formula: C6H6ClNO2
Molecular Weight: 159.5703

Identification/Properties


Properties
BP:
240.4°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
1.4960 to 1.5000
Computed Properties
Molecular Weight:
159.569g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
159.009g/mol
Monoisotopic Mass:
159.009g/mol
Topological Polar Surface Area:
43.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
151
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
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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