CAS No.495-54-5,2,4-DIAMINOAZOBENZENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	495-54-5
Name:	2,4-DIAMINOAZOBENZENE
Article Data:	8

Formula:	C₁₂H₁₂N₄
Molecular Weight:	212.254
Synonyms:	1,3-Benzenediamine,4-(phenylazo)- (9CI);C.I. Solvent Orange 3 (8CI);2,4-Diaminoazobenzene;4-(Phenylazo)-1,3-phenylenediamine;Azobenzene-2,4-diamine;C.I. 11270:1;Chrysoidine Base;Chrysoidine Base A;Chrysoidine Base B;Chrysoidine G Base;Chrysoidine J Base;Chrysoidine Y Base;Chrysoidine Y Base New;Chrysoidine YDBase;Fat Brown GG;Grasan Chrysoidine;NSC 3273;Neptune Orange Base 206;Solvent Orange 3;Waxoline Orange Y;
EINECS:	207-803-7
Density:	1.23 g/cm³
Melting Point:	117～123℃
Boiling Point:	431.6 °C at 760 mmHg
Flash Point:	214.8 °C
Solubility:	348.393mg/L at 30℃
PSA:	76.76000
LogP:	4.42880

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Consensus Reports

DIAMINOAZOBENZENE is reported in EPA TSCA Inventory.

Specification

The Diaminoazobenzene is an organic compound with the formula C₁₂H₁₂N₄. The IUPAC name of this chemical is 4-phenyldiazenylbenzene-1,3-diamine. With the CAS registry number 495-54-5, it is also named as Chrysoidine free base; 4-(Phenylazo)-1,3-phenylenediamine. The product's categories is organic. When heated to decomposition it emits toxic fumes of NO_x. In addition, this chemical should be sealed in the container which should be palced in the cool and sry aera.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.09; (2)ACD/LogD (pH 5.5): 2.08; (3)ACD/LogD (pH 7.4): 2.09; (4)ACD/BCF (pH 5.5): 22.56; (5)ACD/KOC (pH 5.5): 323.38; (6)ACD/KOC (pH 7.4): 324.88; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.65; (11)Molar Refractivity: 62.68 cm³; (12)Molar Volume: 171.7 cm³; (13)Polarizability: 24.85×10^-24 cm³; (14)Surface Tension: 52.3 dyne/cm; (15)Enthalpy of Vaporization: 68.72 kJ/mol; (16)Vapour Pressure: 1.19E-07 mmHg at 25°C; (17)Rotatable Bond Count: 2; (18)Tautomer Count: 12; (19)Exact Mass: 212.106196; (20)MonoIsotopic Mass: 212.106196; (21)Topological Polar Surface Area: 76.8; (22)Heavy Atom Count: 16.

Uses of Diaminoazobenzene: It can be used in the production of 2-phenyl-2H-benzo[1,2,3]triazol-5-ylamine. This reaction needs reagent O₂, CuCl, pyridine and solvent ethanol, H₂O at temperature of 40 °C. The yield is 91.9%.

People can use the following data to convert to the molecule structure.
1. SMILES: N(=N/c1ccc(cc1N)N)\c2ccccc2;
2. InChI: InChI=1/C12H12N4/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10/h1-8H,13-14H2/b16-15+.

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LDLo	oral	1667mg/kg (1667mg/kg)	Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 195, Pg. 295, 1940.
mouse	LDLo	subcutaneous	1667mg/kg (1667mg/kg)	Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 195, Pg. 295, 1940.
rat	LD50	oral	1650mg/kg (1650mg/kg)	"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1308, 1986.