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50638-51-2

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Basic Information
CAS No.: 50638-51-2
Name: 4-BROMO-2-CHLORO-N,N-DIMETHYLANILINE
Article Data: 3
Molecular Structure:
Molecular Structure of 50638-51-2 (4-BROMO-2-CHLORO-N,N-DIMETHYLANILINE)
Formula: C8H9BrClN
Molecular Weight: 234.523
Synonyms: 4-Bromo-2-Chloro-N,N-Dimethylaniline;
Density: 1.508 g/cm3
Boiling Point: 270.328 °C at 760 mmHg
Flash Point: 117.29 °C
PSA: 3.24000
LogP: 3.16850
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Specification

The Benzenamine,4-bromo-2-chloro-N,N-dimethyl-, with the CAS registry number 50638-51-2, is also known as 4-Bromo-2-Chloro-N,N-Dimethylaniline. This chemical's molecular formula is C8H9BrClN and molecular weight is 234.5208. What's more, it should be stored in condition of dry and cold.

Physical properties about Benzenamine,4-bromo-2-chloro-N,N-dimethyl- are: (1)ACD/LogP: 4.92; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 979; (6)ACD/BCF (pH 7.4): 990; (7)ACD/KOC (pH 5.5): 4799; (8)ACD/KOC (pH 7.4): 4850; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 53.152 cm3; (15)Molar Volume: 155.56 cm3; (16)Polarizability: 21.071×10-24cm3; (17)Surface Tension: 41.852 dyne/cm; (18)Density: 1.508 g/cm3; (19)Flash Point: 117.29 °C; (20)Enthalpy of Vaporization: 50.85 kJ/mol; (21)Boiling Point: 270.328 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25 °C.

Preparation of Benzenamine,4-bromo-2-chloro-N,N-dimethyl-: this chemical can be prepared by 4-Bromo-N,N-dimethyl-aniline. This reaction needs reagent Trichlorocyanuric acid. The reaction time is 20 hours. The yield is 44%.

Benzenamine,4-bromo-2-chloro-N,N-dimethyl can be prepared by 4-Bromo-N,N-dimethyl-aniline.Benzenamine,4-bromo-2-chloro-N,N-dimethyl can be prepared by 4-Bromo-N,N-dimethyl-aniline.Benzenamine,4-bromo-2-chloro-N,N-dimethyl can be prepared by 4-Bromo-N,N-dimethyl-aniline.Benzenamine,4-bromo-2-chloro-N,N-dimethyl can be prepared by 4-Bromo-N,N-dimethyl-aniline.

You can still convert the following datas into molecular structure:
(1) SMILES: CN(C)c1ccc(Br)cc1Cl
(2) InChI: InChI=1/C8H9BrClN/c1-11(2)8-4-3-6(9)5-7(8)10/h3-5H,1-2H3
(3) InChIKey: PKPXCBIUESSICA-UHFFFAOYAJ