CAS No.622-16-2,diphenylcarbodiimide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	622-16-2
Name:	diphenylcarbodiimide
Article Data:	101

Formula:	C₁₃H₁₀N₂
Molecular Weight:	194.236
Synonyms:	Carbodiimide,diphenyl- (6CI,8CI);1,3-Diphenylcarbodiimide;Diphenylcarbodiimide;N,N'-Diphenylcarbodiimide;N,N'-Methanetetraylbis(benzenamine);NSC 159432;
EINECS:	210-721-4
Density:	0.99 g/cm³
Melting Point:	169°C
Boiling Point:	331 °C at 760 mmHg
Flash Point:	146.1 °C
PSA:	24.72000
LogP:	3.82370

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Specification

The Benzenamine,N,N'-methanetetraylbis-, with the CAS registry number 622-16-2, is also known as 1,3-Diphenylcarbodiimide. Its EINECS number is 210-721-4. This chemical's molecular formula is C₁₃H₁₀N₂ and molecular weight is 194.23. What's more, its systematic name is N,N'-diphenylcarbodiimide.

Physical properties of Benzenamine,N,N'-methanetetraylbis- are: (1)ACD/LogP: 4.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.92; (4)ACD/LogD (pH 7.4): 4.92; (5)ACD/BCF (pH 5.5): 3255.67; (6)ACD/BCF (pH 7.4): 3255.67; (7)ACD/KOC (pH 5.5): 11374.78; (8)ACD/KOC (pH 7.4): 11374.78; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 24.72 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 63.46 cm³; (15)Molar Volume: 194.2 cm³; (16)Polarizability: 25.16×10^-24cm³; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 146.1 °C; (20)Enthalpy of Vaporization: 55.09 kJ/mol; (21)Boiling Point: 331 °C at 760 mmHg; (22)Vapour Pressure: 0.000308 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N(=C=N\c1ccccc1)\c2ccccc2
(2)InChI: InChI=1S/C13H10N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H
(3)InChIKey: CMESPBFFDMPSIY-UHFFFAOYSA-N