2-Biphenyl isocyanate
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2-Biphenyl isocyanate
structure -
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CAS No:
17337-13-2
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Formula:
C13H9NO
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Chemical Name:
2-Biphenyl isocyanate
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Synonyms:
1,1′-Biphenyl,2-isocyanato-;Isocyanic acid,2-biphenylyl ester;2-Isocyanato-1,1′-biphenyl;o-Biphenylyl isocyanate;2-Isocyanatobiphenyl;2-Biphenylyl isocyanate;2-Phenylphenyl isocyanate;2-Biphenyl isocyanate;NSC 8076;1-Isocyanato-2-phenylbenzene
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CAS No:
Characteristics
29.4
5.15
1.138 g/mL at 25 °C(lit.)
56 °C
100 °C @ Press: 0.5-1 Torr
>230 °F
n 20/D 1.606(lit.)
Safety Information
III
6.1
UN 2206 6.1/PG 3
3
20/21/22-36/37/38
26-27-36/37/39
Xn
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:195.22
XLogP3:4.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:195.068413911
Monoisotopic Mass:195.068413911
Topological Polar Surface Area:29.4
Heavy Atom Count:15
Complexity:239
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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