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Basic Information
CAS No.: 3066-44-2
Name: DIPHENYLMETHYL ISOCYANATE 98
Article Data: 16
Molecular Structure:
Molecular Structure of 3066-44-2 (DIPHENYLMETHYL ISOCYANATE 98)
Formula: C14H11NO
Molecular Weight: 209.247
Synonyms: Isocyanicacid, diphenylmethyl ester (6CI,7CI,8CI);(Phenylisocyanatomethyl)benzene;Benzhydryl isocyanate;Diphenylmethyl isocyanate;
Density: 1.03 g/cm3
Boiling Point: 305.1 °C at 760 mmHg
Flash Point: 94.1 °C
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-36/37/38
Safety: 23-26-36
PSA: 29.43000
LogP: 3.11180
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Specification

The cas register number of Diphenylmethyl isocyanate is 3066-44-2. It also can be called as Benzene,1,1'-(isocyanatomethylene)bis- and the IUPAC Name about this chemical is [isocyanato(phenyl)methyl]benzene. It belongs to the following product categories, such as Isocyanates, Nitrogen Compounds, Organic Building Blocks and so on.

Physical properties about Diphenylmethyl isocyanate are: (1)ACD/LogP: 4.34; (2)ACD/LogD (pH 5.5): 4.34; (3)ACD/LogD (pH 7.4): 4.34; (4)ACD/BCF (pH 5.5): 1162.77; (5)ACD/BCF (pH 7.4): 1162.77; (6)ACD/KOC (pH 5.5): 5443.51; (7)ACD/KOC (pH 7.4): 5443.51; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 29.43Å2; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 65.87 cm3; (13)Molar Volume: 202.9 cm3; (14)Polarizability: 26.11x10-24cm3; (15)Surface Tension: 40.1 dyne/cm; (16)Enthalpy of Vaporization: 54.55 kJ/mol; (17)Vapour Pressure: 0.000839 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and not breathe vapour. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N=C=O
(2)InChI: InChI=1S/C14H11NO/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
(3)InChIKey: BWLKKFSDKDJGDZ-UHFFFAOYSA-N