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823-54-1

Basic Information
CAS No.: 823-54-1
Name: Benzenamine,3-bromo-4-chloro-
Article Data: 16
Cas Database
Molecular Structure:
Molecular Structure of 823-54-1 (Benzenamine,3-bromo-4-chloro-)
Formula: C6H5BrClN
Molecular Weight: 206.469
Synonyms: 3-Bromo-4-chlorophenylamine;3-Bromo-4-chloroaniline;Aniline,3-bromo-4-chloro- (7CI,8CI);
EINECS: N/A
Density: 1.723 g/cm3
Melting Point: 82 °C
Boiling Point: 290.575 °C at 760 mmHg
Flash Point: 129.535 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: 20/21/22-33
Safety: 36/37
Transport Information: N/A
PSA: 26.02000
LogP: 3.26590
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  • Benzenamine,3-bromo-4-chloro- cas  823-54-1

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Specification

The Benzenamine,3-bromo-4-chloro-, with the CAS registry number 823-54-1, is also known as 3-Bromo-4-chloro-phenylamine. It belongs to the product categories of Anilines, Amides & Amines; Bromine Compounds; Chlorine Compounds. This chemical's molecular formula is C6H5BrClN and molecular weight is 206.4676. What's more, its systematic name is called 3-Bromo-4-chloroaniline.

Physical properties about Benzenamine,3-bromo-4-chloro- are: (1) ACD/LogP: 2.96; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3; (4) ACD/LogD (pH 7.4): 3; (5) ACD/BCF (pH 5.5): 83; (6) ACD/BCF (pH 7.4): 83; (7) ACD/KOC (pH 5.5): 822; (8) ACD/KOC (pH 7.4): 824; (9) #H bond acceptors: 1; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 26.02 Å2; (13) Index of Refraction: 1.638; (14) Molar Refractivity: 43.074 cm3; (15) Molar Volume: 119.849 cm3; (16) Surface Tension: 50.489 dyne/cm; (17) Density: 1.723 g/cm3; (18) Flash Point: 129.535 °C; (19) Enthalpy of Vaporization: 52.995 kJ/mol; (20) Boiling Point: 290.575 °C at 760 mmHg; (21) Vapour Pressure: 0.002 mmHg at 25 °C; (22) Melting Point: 82 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1cc(Br)c(Cl)cc1
(2) InChI: InChI=1/C6H5BrClN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2
(3) InChIKey: FVZODFVCIDBDGS-UHFFFAOYAS