3-Fluorophenyl isocyanate
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3-Fluorophenyl isocyanate
structure -
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CAS No:
404-71-7
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Formula:
C7H4FNO
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Chemical Name:
3-Fluorophenyl isocyanate
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Synonyms:
Benzene,1-fluoro-3-isocyanato-;Isocyanic acid,m-fluorophenyl ester;1-Fluoro-3-isocyanatobenzene;Isocyanic acid,3-fluorophenyl ester;m-Fluorophenyl isocyanate;3-Fluorophenyl isocyanate;1-Isocyanato-3-fluorobenzene
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CAS No:
Characteristics
29.4
2.88
Clear colorless Liquid
1.1±0.1 g/cm3
66-68.5 °C @ Press: 29 Torr
107 °F
1.505
0-6°C
Safety Information
III
3
UN 3080 6.1/PG 2
3
10-20/21/22-36/37/38
26-27-36/37/39-45
Xn,T,C
Toxic/Corrosive/Lachrymatory/Moisture Sensitive
P261-P280-P305 + P351 + P338
H226-H302 + H312 + H332-H315-H319-H335
Computed Properties
Molecular Weight:137.11
XLogP3:2.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:137.027691913
Monoisotopic Mass:137.027691913
Topological Polar Surface Area:29.4
Heavy Atom Count:10
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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