-
Name
DIPHENYLMETHYL ISOCYANATE 98
- EINECS
- CAS No. 3066-44-2
- Article Data16
- CAS DataBase
- Density 1.03 g/cm3
- Solubility
- Melting Point
- Formula C14H11NO
- Boiling Point 305.1 °C at 760 mmHg
- Molecular Weight 209.247
- Flash Point 94.1 °C
- Transport Information
- Appearance
- Safety 23-26-36
- Risk Codes 20/21/22-36/37/38
-
Molecular Structure
-
Hazard Symbols
Xn
- Synonyms Isocyanicacid, diphenylmethyl ester (6CI,7CI,8CI);(Phenylisocyanatomethyl)benzene;Benzhydryl isocyanate;Diphenylmethyl isocyanate;
- PSA 29.43000
- LogP 3.11180
Diphenylmethyl isocyanate 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
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