3'-Bromo-4-dimethylaminoazobenzene supplier

Name
4-[(E)-(3-bromophenyl)diazenyl]-N,N-dimethylaniline
EINECS
CAS No. 17576-88-4
Article Data3
CAS DataBase
Density 1.31g/cm³
Solubility
Melting Point
Formula C₁₄H₁₄BrN₃
Boiling Point 421.6 °C at 760 mmHg
Molecular Weight 304.22
Flash Point 208.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms ANILINE, p-(m-BROMOPHENYLAZO)-N,N-DIMETHYL-;3-Bromo-4-dimethylaminoazobenzene;p-(m-Bromophenylazo)-N,N-dimethylaniline;4-16-00-00451 (Beilstein Handbook Reference);4-((3-Bromophenyl)azo)-N,N-dimethylbenzenamine;4-(3-bromophenyl)diazenyl-N,N-dimethyl-aniline;Benzenamine, 4-((3-bromophenyl)azo)-N,N-dimethyl- (9CI);BENZENAMINE, 4-((3-BROMOPHENYL)AZO)-N,N-DIMETHYL-(9CI);
PSA
LogP

3'-Bromo-4-dimethylaminoazobenzene Specification

The 3'-Bromo-4-dimethylaminoazobenzene, with CAS registry number 17576-88-4, has the systematic name of 4-[(E)-(3-bromophenyl)diazenyl]-N,N-dimethylaniline. And its IUPAC name is 4-[(3-bromophenyl)diazenyl]-N,N-dimethylaniline. What's more, its classification code is Tumor data.

Physical properties of 3'-Bromo-4-dimethylaminoazobenzene: (1)ACD/LogP: 5.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.32; (4)ACD/LogD (pH 7.4): 5.32; (5)ACD/BCF (pH 5.5): 6474.47; (6)ACD/BCF (pH 7.4): 6513.4; (7)ACD/KOC (pH 5.5): 18573.82; (8)ACD/KOC (pH 7.4): 18685.53; (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: 1.598; (14)Molar Refractivity: 79.21 cm³; (15)Molar Volume: 232 cm³; (16)Polarizability: 31.4×10^-24cm³; (17)Surface Tension: 41 dyne/cm; (18)Enthalpy of Vaporization: 67.56 kJ/mol; (19)Vapour Pressure: 2.58E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc(/N=N/c1ccc(N(C)C)cc1)ccc2
(2)InChI: InChI=1/C14H14BrN3/c1-18(2)14-8-6-12(7-9-14)16-17-13-5-3-4-11(15)10-13/h3-10H,1-2H3/b17-16+
(3)InChIKey: XMJQUNYUCLITRE-WUKNDPDIBQ
(4)Std. InChI: InChI=1S/C14H14BrN3/c1-18(2)14-8-6-12(7-9-14)16-17-13-5-3-4-11(15)10-13/h3-10H,1-2H3/b17-16+
(5)Std. InChIKey: XMJQUNYUCLITRE-WUKNDPDISA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	13gm/kg (13000mg/kg)		Neoplasma. Vol. 27, Pg. 237, 1980.

Product Name

4-[(E)-(3-bromophenyl)diazenyl]-N,N-dimethylaniline

3'-Bromo-4-dimethylaminoazobenzene Specification

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