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3-Bromochlorobenzene CAS No.:108-37-2

3-Bromochlorobenzene CAS No.:108-37-2

3-Bromochlorobenzene Specification The Benzene,1-bromo-3-chloro-, with CAS registry number 108-37-2, belongs to the following product categories: (1)Aromatic Halides (substituted); (2)Bromine Compounds; (3)Chlorine Compounds; (4)Aryl; (5)C6; (6)Halogenated Hydrocarbons. It has the systematic...

Name

3-Bromochlorobenzene

EINECS

203-575-8

CAS No.

108-37-2

Density

1.628 g/cm3

Solubility

insoluble in water

Melting Point

-21.5 °C

Formula

C6H4BrCl

Boiling Point

194.7 °C at 760 mmHg

Molecular Weight

191.45

Flash Point

80.6 °C

Transport Information


Appearance

Clear colourless to light yellow liquid

Safety

26-36-37/39

Risk Codes

36/37/38-20/22

Molecular Structure

1.jpg

Hazard Symbols

5(001).jpgXn; 3(001).jpgXi

Synonyms

1-Bromo-3-chlorobenzene;1-Chloro-3-bromobenzene;3-Bromo-1-chlorobenzene;3-Bromophenyl chloride;3-Chloro-1-bromobenzene;3-Chlorobromobenzene;3-Chlorophenyl bromide;NSC 53548;m-Bromochlorobenzene;m-Bromophenyl chloride;m-Chlorobromobenzene;




3-Bromochlorobenzene Specification

The Benzene,1-bromo-3-chloro-, with CAS registry number 108-37-2, belongs to the following product categories: (1)Aromatic Halides (substituted); (2)Bromine Compounds; (3)Chlorine Compounds; (4)Aryl; (5)C6; (6)Halogenated Hydrocarbons. It has the systematic name of 1-bromo-3-chlorobenzene. This chemical is a kind of clear colourless to light yellow liquid. The main use of this chemical is for organic synthesis.

Physical properties of Benzene,1-bromo-3-chloro-: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.54; (4)ACD/LogD (pH 7.4): 3.54; (5)ACD/BCF (pH 5.5): 286.19; (6)ACD/BCF (pH 7.4): 286.19; (7)ACD/KOC (pH 5.5): 1995.61; (8)ACD/KOC (pH 7.4): 1995.61; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 38.83 cm3; (15)Molar Volume: 117.5 cm3; (16)Polarizability: 15.39×10-24cm3; (17)Surface Tension: 38.9 dyne/cm; (18)Enthalpy of Vaporization: 41.33 kJ/mol; (19)Vapour Pressure: 0.609 mmHg at 25°C.

Uses of p-Chloropropiophenone: it can be used to produce 2-bromo-6-chloro-benzoic acid. This reaction will need reagents 2,2,6,6-tetramethylpiperidine, butyllithium and solvents tetrahydrofuran, hexane. The reaction time is 2 hour(s) with reaction temperature of -75 ℃ ℃. The yield is about 94%.


When you are using this chemical, please be cautious about it as the following:

The Benzene,1-bromo-3-chloro- irritates to eyes, respiratory system and skin. This chemical is harmful by inhalation and harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:

(1)SMILES: Clc1cc(Br)ccc1

(2)InChI: InChI=1/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H

(3)InChIKey: JRGGUPZKKTVKOV-UHFFFAOYAS

(4)Std. InChI: InChI=1S/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H

(5)Std. InChIKey: JRGGUPZKKTVKOV-UHFFFAOYSA-N


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