PHENYL-D5ISOCYANATE
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PHENYL-D5ISOCYANATE
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CAS No:
83286-56-0
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Formula:
C7D5NO
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Chemical Name:
PHENYL-D5ISOCYANATE
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Synonyms:
Phenyl-d5 isocyanate;1,2,3,4,5-pentadeuterio-6-isocyanatobenzene;SCHEMBL6375900;1-Isocyanato(~2~H_5_)benzene;DTXSID10584063;Phenyl-d5 isocyanate, 98 atom % D
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CAS No:
Characteristics
29.43000
1.65390
1.142 g/mL at 25ºC
-30ºC(lit.)
162-163ºC(lit.)
132 °F
n20/D 1.535(lit.)
Safety Information
UN 2487 6.1/PG 1
3
26-27-36/37/39-45-28-16
T,T+
P260-P280-P284-P305 + P351 + P338-P310
H226-H302-H314-H317-H330-H334
Computed Properties
Molecular Weight:124.15
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:124.068497513
Monoisotopic Mass:124.068497513
Topological Polar Surface Area:29.4
Heavy Atom Count:9
Complexity:121
Isotope Atom Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes