3-Fluorophenyl isothiocyanate
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3-Fluorophenyl isothiocyanate
structure -
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CAS No:
404-72-8
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Formula:
C7H4FNS
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Chemical Name:
3-Fluorophenyl isothiocyanate
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Synonyms:
Benzene,1-fluoro-3-isothiocyanato-;Isothiocyanic acid,m-fluorophenyl ester;1-Fluoro-3-isothiocyanatobenzene;3-Fluorophenyl isothiocyanate;m-Fluorophenyl isothiocyanate;NSC 78432;1619287-33-0;2124236-52-6
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CAS No:
3-Fluorophenyl isothiocyanate Basic Attributes
153.177
153.18
206-967-7
78432
DTXSID5059955
2930909090
Characteristics
44.45000
3.41
yellow liquid
1.2±0.1 g/cm3
227 °C
85.0±0.0 °C
1.553
0-6ºC
0.115mmHg at 25°C
Safety Information
III
8
UN 3265 8/PG 2
3
20/21/22-34-36/37-36/37/38
S26-S27-S36/37/39-S45
NX8750000
C: Corrosive;T: Toxic;Xi: Irritant;Xn: Harmful;
P261-P280-P305 + P351 + P338-P310
H302-H312-H314-H332-H335
Computed Properties
Molecular Weight:153.18
XLogP3:3.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:153.00484847
Monoisotopic Mass:153.00484847
Topological Polar Surface Area:44.4
Heavy Atom Count:10
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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