Benzenamine,4-bromo-5-chloro-2-nitro- supplier

Name
4-bromo-5-chloro-2-nitrophenylamine
EINECS
CAS No. 827-33-8
Article Data9
CAS DataBase
Density 1.909 g/cm³
Solubility
Melting Point
Formula C₆H₄BrClN₂O₂
Boiling Point 350.5 °C at 760 mmHg
Molecular Weight 251.467
Flash Point 165.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromo-5-chloro-2-nitroaniline;Aniline,4-bromo-5-chloro-2-nitro- (8CI);2-Nitro-4-bromo-5-chloroaniline;3-Chloro-4-bromo-6-nitroaniline;4-Bromo-5-chloro-2-nitroaniline;
PSA 71.84000
LogP 3.69730

Benzenamine,4-bromo-5-chloro-2-nitro- Specification

The Benzenamine,4-bromo-5-chloro-2-nitro-, with the CAS registry number 827-33-8, is also known as 3-Chloro-4-bromo-6-nitroaniline. This chemical's molecular formula is C₆H₄BrClN₂O₂ and molecular weight is251.47. What's more, its systematic name is 4-bromo-5-chloro-2-nitroaniline.

Physical properties of Benzenamine,4-bromo-5-chloro-2-nitro- are: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.59; (5)ACD/BCF (pH 5.5): 315.84; (6)ACD/BCF (pH 7.4): 315.84; (7)ACD/KOC (pH 5.5): 2141.55; (8)ACD/KOC (pH 7.4): 2141.55; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 71.84 Å²; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 49.61 cm³; (15)Molar Volume: 131.6 cm³; (16)Polarizability: 19.67×10^-24cm³; (17)Surface Tension: 65.7 dyne/cm; (18)Density: 1.909 g/cm³; (19)Flash Point: 165.8 °C; (20)Enthalpy of Vaporization: 59.51 kJ/mol; (21)Boiling Point: 350.5 °C at 760 mmHg; (22)Vapour Pressure: 4.37E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(Cl)c(Br)cc1N(=O)=O
(2)InChI: InChI=1S/C6H4BrClN2O2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H,9H2
(3)InChIKey: XXIFMWKGKJWFOH-UHFFFAOYSA-N

Product Name

4-bromo-5-chloro-2-nitrophenylamine

Benzenamine,4-bromo-5-chloro-2-nitro- Specification

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