Benzene, 1-fluoro-3-isocyanato-


Chemical Name: Benzene, 1-fluoro-3-isocyanato-
CAS Number: 404-71-7
Product Number: AG003JHK(AGN-PC-0JLO88)
Synonyms:
MDL No:
Molecular Formula: C7H4FNO
Molecular Weight: 137.1112

Identification/Properties


Properties
BP:
171.3°C at 760 mmHg
Storage:
2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
137.113g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
137.028g/mol
Monoisotopic Mass:
137.028g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
154
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#:
3080
Hazard Statements:
H226-H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
6.1,3
Packing Group:

NMR Spectrum


Other Analytical Data


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