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27137-31-1

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Basic Information
CAS No.: 27137-31-1
Name: N,N'-DIPHENYL-1,4-PHENYLENEDIAMINE
Molecular Structure:
Molecular Structure of 27137-31-1 (N,N'-DIPHENYL-1,4-PHENYLENEDIAMINE)
Formula: C18H16N2
Molecular Weight: 260.33
Synonyms: N,N'-Diphenyl-m-phenylenediamine;
EINECS: 200-806-4
Density: 1.175 g/cm3
Melting Point: 143-145 °C(lit.)
Boiling Point: 469.231 °C at 760 mmHg
Flash Point: 296.973 °C
Hazard Symbols: IrritantXi
Risk Codes: 43-52/53
Safety: 24-37-61
PSA: 24.06000
LogP: 5.31980
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Specification

The Benzenediamine,N,N'-diphenyl-, with the CAS registry number of 27137-31-1, is also known as N,N'-Diphenyl-m-phenylenediamine. Its EINECS registry number is 200-806-4. This chemical's molecular formula is C18H16N2 and molecular weight is 260.33. What's more, its systematic name is N,N'-Diphenylbenzene-1,4-diamine.

Physical properties about the Benzenediamine,N,N'-diphenyl- are: (1)ACD/LogP: 4.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.536; (4)ACD/LogD (pH 7.4): 4.536; (5)ACD/BCF (pH 5.5): 1648.398; (6)ACD/BCF (pH 7.4): 1648.763; (7)ACD/KOC (pH 5.5): 6987.84; (8)ACD/KOC (pH 7.4): 6989.39; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 24.06 Å2; (13)Index of Refraction: 1.694; (14)Molar Refractivity: 85.002 cm3; (15)Molar Volume: 221.515 cm3; (16)Surface Tension: 51.692 dyne/cm; (17)Density: 1.175 g/cm3; (18)Flash Point: 296.973 °C; (19)Enthalpy of Vaporization: 73.155 kJ/mol; (20)Boiling Point: 469.231 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause sensitisation by skin contact. During using it, wear suitable gloves. It is harmful to aquatic organisms, may cause long-term adve rse effects in the aquatic environment. In addition, it should avoid release to the environment.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)Nc2ccc(cc2)Nc3ccccc3
(2) InChI: InChI=1/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H
(3) InChIKey: UTGQNNCQYDRXCH-UHFFFAOYAQ