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Name |
3'-Chloro-4'-methyl-4-dimethylamino azobenzene |
EINECS | N/A |
CAS No. | 63951-11-1 | Density | 1.12g/cm3 |
PSA | 27.96000 | LogP | 5.12980 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H16ClN3 | Boiling Point | 419.5 °C at 760 mmHg |
Molecular Weight | 273.79 | Flash Point | 207.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzenamine,4-[(3-chloro-5-methylphenyl)azo]-N,N-dimethyl- (9CI); |
The 3'-Chloro-4'-methyl-4-dimethylamino azobenzene, with CAS registry number 63951-11-1, has the systematic name of 4-[(E)-(3-chloro-4-methylphenyl)diazenyl]-N,N-dimethylaniline. And its IUPAC name is 4-[(3-chloro-4-methylphenyl)diazenyl]-N,N-dimethylaniline. What's more, its classification codes are Mutation data and Tumor data.
Physical properties of 3'-Chloro-4'-methyl-4-dimethylamino azobenzene: (1)ACD/LogP: 5.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.6; (4)ACD/LogD (pH 7.4): 5.6; (5)ACD/BCF (pH 5.5): 10687.66; (6)ACD/BCF (pH 7.4): 10696.54; (7)ACD/KOC (pH 5.5): 26629.27; (8)ACD/KOC (pH 7.4): 26651.41; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.96 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 80.68 cm3; (15)Molar Volume: 243.9 cm3; (16)Polarizability: 31.98×10-24cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Enthalpy of Vaporization: 67.32 kJ/mol; (19)Vapour Pressure: 3.02E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(/N=N/c1ccc(N(C)C)cc1)ccc2C
(2)InChI: InChI=1/C15H16ClN3/c1-11-4-5-13(10-15(11)16)18-17-12-6-8-14(9-7-12)19(2)3/h4-10H,1-3H3/b18-17+
(3)InChIKey: FELKFKKBPTXZKA-ISLYRVAYBP
(4)Std. InChI: InChI=1S/C15H16ClN3/c1-11-4-5-13(10-15(11)16)18-17-12-6-8-14(9-7-12)19(2)3/h4-10H,1-3H3/b18-17+
(5)Std. InChIKey: FELKFKKBPTXZKA-ISLYRVAYSA-N
The toxicity data is as follows:
1. | mma-sat 250 nmol/plate | CNREA8 Cancer Research. 46 (1986),1654. | ||
2. | dns-rat:lvr 10 µmol/L | CNREA8 Cancer Research. 46 (1986),1654. |