CAS No.5392-67-6,CADION Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5392-67-6
Name:	CADION
Article Data:	1

Formula:	C₁₈H₁₄N₆O₂
Molecular Weight:	346.348
Synonyms:	1-Triazene,1-(4-nitrophenyl)-3-[4-(phenylazo)phenyl]- (9CI);Triazene,1-(p-nitrophenyl)-3-[p-(phenylazo)phenyl]- (6CI,7CI,8CI);1-(4-Nitrophenyl)-3-(4-phenylazophenyl)triazene;1-(p-Nitrophenyl)-3-(p'-azobenzene)triazene;3-(p-Nitrophenyl)-1-[p-(phenylazo)phenyl]triazene;Cadion;Cadion A;NSC 6282;NSC 66456;p-Nitrophenyldiazoaminoazobenzene;
EINECS:	226-395-1
Density:	1.3 g/cm³
Melting Point:	189 °C (dec.)(lit.)
Boiling Point:	535 °C at 760 mmHg
Flash Point:	277.4 °C
Hazard Symbols:	Xn
Risk Codes:	5-22-43
Safety:	14-15-36/37
PSA:	107.29000
LogP:	6.71720

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Specification

The 1-Triazene,1-(4-nitrophenyl)-3-[4-(2-phenyldiazenyl)phenyl]-, with the CAS registry number 39405-26-0, is also known as Triazene, 3-(p-nitrophenyl)-1-(p-(phenylazo)phenyl)-. Its EINECS registry number is 226-395-1. This chemical's molecular formula is C₁₈H₁₄N₆O₂ and molecular weight is 346.3428. Its IUPAC name is called 4-nitro-N-[(4-phenyldiazenylphenyl)diazenyl]aniline. This chemical is ochre amorphous powder.

Physical properties of 1-Triazene,1-(4-nitrophenyl)-3-[4-(2-phenyldiazenyl)phenyl]-: (1)ACD/LogP: 5.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.93; (4)ACD/LogD (pH 7.4): 5.93; (5)ACD/BCF (pH 5.5): 19053.13; (6)ACD/BCF (pH 7.4): 19053.13; (7)ACD/KOC (pH 5.5): 40289; (8)ACD/KOC (pH 7.4): 40289; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.666; (13)Molar Refractivity: 98.78 cm³; (14)Molar Volume: 265.6 cm³; (15)Surface Tension: 56.7 dyne/cm; (16)Density: 1.3 g/cm³; (17)Flash Point: 277.4 °C; (18)Enthalpy of Vaporization: 81.14 kJ/mol; (19)Boiling Point: 535 °C at 760 mmHg; (20)Vapour Pressure: 1.6E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. It may cause sensitisation by skin contact. This chemical should be kept away from heat. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NNC3=CC=C(C=C3)[N+](=O)[O-]
(2)InChI: InChI=1S/C18H14N6O2/c25-24(26)18-12-10-17(11-13-18)22-23-21-16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-13H,(H,21,22)
(3)InChIKey: SMMIDVLUFMPWFN-UHFFFAOYSA-N