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3128-85-6

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Basic Information
CAS No.: 3128-85-6
Name: DIPHENYLMETHYL ISOCYANIDE
Article Data: 8
Molecular Structure:
Molecular Structure of 3128-85-6 (DIPHENYLMETHYL ISOCYANIDE)
Formula: C14H11N
Molecular Weight: 193.248
Synonyms: Methylisocyanide, diphenyl- (7CI,8CI);Benzhydryl isocyanide;Diphenylacetoisonitrile;Diphenylmethyl isocyanide;1,1'-(isocyanomethanediyl)dibenzene;Benzene, 1,1'-(isocyanomethylene)bis-;benzhydryl isocyanide;Diphenylmethyl isocyanide;
Melting Point: 45 °C
Boiling Point: 140 - 142oC at760mmHg
Flash Point: 41oC ( 105.80 °F)
Appearance: light yellow crystalline needles
Hazard Symbols: Xn
PSA: 0.00000
LogP: 2.92600
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Specification

The Benzene,1,1'-(isocyanomethylene)bis-, with the CAS registry number 3128-85-6, has the systematic name of 1,1'-(isocyanomethanediyl)dibenzene. It is a kind of light yellow crystalline needles, and the molecular formula of the chemical is C14H11N .

The characteristics of Benzene,1,1'-(isocyanomethylene)bis- are as followings: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 4.36 Å2. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [C-]#[N+]C(c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C14H11N/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H
(3)InChIKey: REKQCRSUOJRCDV-UHFFFAOYAH