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108-37-2

Basic Information
CAS No.: 108-37-2
Name: 1 -Bromo-3-chloro benzene
Article Data: 54
Molecular Structure:
Molecular Structure of 108-37-2 (1 -Bromo-3-chloro benzene)
Formula: C6H4BrCl
Molecular Weight: 191.455
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;
EINECS: 203-575-8
Density: 1.628 g/cm3
Melting Point: -21.5 °C
Boiling Point: 194.7 °C at 760 mmHg
Flash Point: 80.6 °C
Solubility: insoluble in water
Appearance: Clear colourless to light yellow liquid
Hazard Symbols: HarmfulXn; IrritantXi
Risk Codes: 36/37/38-20/22
Safety: 26-36-37/39
PSA: 0.00000
LogP: 3.10250
Synthetic route
456-39-3

3-chlorobenzenediazonium tetrafluoroborate

108-37-2

1-bromo-3-chlorobenzene

Conditions
ConditionsYield
With dibenzo-18-crown-6; potassium bromide; copper(ll) bromide; 1,10-Phenanthroline; copper(I) bromide In acetonitrile at 20℃; for 0.333333h; Sandmeyer bromination;99%
31928-47-9

4-bromo-2-chloroiodobenzene

108-37-2

1-bromo-3-chlorobenzene

Conditions
ConditionsYield
With [Ir(2-phenylpyridine)-2-(4,4’-di-tert-butyl-2,2’-bipyridine)]PF6; N-ethyl-N,N-diisopropylamine In acetonitrile at 25℃; for 1.5h; Irradiation;92%
1416277-01-4

(3-chlorophenyl)(mesityl)iodonium trifluoromethanesulfonate

108-37-2

1-bromo-3-chlorobenzene

Conditions
ConditionsYield
With copper(I) bromide In acetonitrile at 80℃; for 2h;92%

3-bromo-benzenediazonium; tetrachloro cuprate(II)

108-37-2

1-bromo-3-chlorobenzene

Conditions
ConditionsYield
In dimethyl sulfoxide Ambient temperature;90%
2312-23-4

m-chlorophenylhydrazine hydrochloride

108-37-2

1-bromo-3-chlorobenzene

Conditions
ConditionsYield
With boron tribromide; dimethyl sulfoxide at 80℃; for 1h;90%

C6H4ClN2(1+)*C6H4NO4S2(1-)

108-37-2

1-bromo-3-chlorobenzene

Conditions
ConditionsYield
With tetrabutylammomium bromide In acetonitrile at 60℃; for 0.75h; Substitution;75%
With tetrabutylammomium bromide; copper In acetonitrile at 20℃; for 0.75h; Substitution;71%

3-bromobenzenediazonium o-benzenedisulfonimide

108-37-2

1-bromo-3-chlorobenzene

Conditions
ConditionsYield
With N-benzyl-N,N,N-triethylammonium chloride; copper In acetonitrile at 20℃; Substitution;74%
63503-60-6

3-chlorophenylboronic acid

108-37-2

1-bromo-3-chlorobenzene

Conditions
ConditionsYield
With N-Bromosuccinimide In acetonitrile at 81℃; for 8h;59%
108-90-7

chlorobenzene

A

106-39-8

bromochlorobenzene

B

108-37-2

1-bromo-3-chlorobenzene

Conditions
ConditionsYield
With bromine trifluoride; bromine at 0 - 10℃;A 25%
B 5%
635305-47-4

2-(3-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

108-37-2

1-bromo-3-chlorobenzene

Conditions
ConditionsYield
With copper(ll) bromide In methanol Heating;24%
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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