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Phenol,4-methyl-2-[2-(2-nitrophenyl)diazenyl]- (1435-71-8)

Identification
Name:Phenol,4-methyl-2-[2-(2-nitrophenyl)diazenyl]-
Synonyms:Phenol,4-methyl-2-[(2-nitrophenyl)azo]- (9CI);p-Cresol, 2-[(o-nitrophenyl)azo]-(6CI,7CI,8CI);2-Hydroxy-2'-nitro-5-methylazobenzene;2-Hydroxy-5-methyl-2'-nitroazobenzene;2-Nitro-2'-hydroxy-5'-methylazobenzene;2-[(2-Nitrophenyl)azo]-p-cresol;2'-Hydroxy-5'-methyl-2-nitroazobenzene;2'-Nitro-6-hydroxy-3-methylazobenzene;4-Methyl-2-[(2-nitrophenyl)azo]phenol;
CAS:1435-71-8
EINECS: 215-863-0
Molecular Formula: C13H11N3O3
Molecular Weight: 257.24
InChI: InChI=1/C13H11N3O3/c1-9-6-7-13(17)11(8-9)15-14-10-4-2-3-5-12(10)16(18)19/h2-8,17H,1H3/b15-14+
Molecular Structure: (C13H11N3O3) Phenol,4-methyl-2-[(2-nitrophenyl)azo]- (9CI);p-Cresol, 2-[(o-nitrophenyl)azo]-(6CI,7CI,8CI);2-Hydro...
Properties
Flash Point: 209.3°C
Boiling Point: 422.5°Cat760mmHg
Density:1.31g/cm3
Refractive index:1.63
Specification:

The cas register number of 4-Methyl-2-(2'-nitrophenyl)azophenol is 1435-71-8. It also can be called as Phenol, 4-methyl-2-(2-(2-nitrophenyl)diazenyl)- and the systematic name about this chemical is (6E)-4-methyl-6-[(2-nitrophenyl)hydrazinylidene]cyclohexa-2,4-dien-1-one.

Physical properties about 4-Methyl-2-(2'-nitrophenyl)azophenol are: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 3.95; (5)#H bond acceptors: 6; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 90.77Å2; (9)Index of Refraction: 1.63; (10)Molar Refractivity: 69.79 cm3; (11)Molar Volume: 196 cm3; (12)Surface Tension: 53.2 dyne/cm; (13)Density: 1.31 g/cm3; (14)Flash Point: 233.5 °C; (15)Enthalpy of Vaporization: 75.13 kJ/mol; (16)Boiling Point: 462.5 °C at 760 mmHg; (17)Vapour Pressure: 3.55E-09 mmHg at 25°C.

Uses of 4-Methyl-2-(2'-nitrophenyl)azophenol: 2-benzotriazol-2-yl-4-methyl-phenol can be got by 4-Methyl-2-(2-nitro-phenylazo)-phenol. This reaction needs solvent tetrahydrofuran and H2O. The yield is 89 %.

People can use the following data to convert to the molecule structure.
1.SMILES: Oc2ccc(C)cc2N=Nc1ccccc1[N+]([O-])=O
2.InChI: InChI=1/C13H11N3O3/c1-9-6-7-13(17)11(8-9)15-14-10-4-2-3-5-12(10)16(18)19/h2-8,17H,1H3 
3.InChIKey: DRPPFIRCBMBJCM-UHFFFAOYAG
4.Std. InChI: InChI=1S/C13H11N3O3/c1-9-6-7-13(17)11(8-9)15-14-10-4-2-3-5-12(10)16(18)19/h2-8,17H,1H3

Flash Point: 209.3°C
Safety Data
 

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