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694-80-4

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694-80-4 Usage

Uses

1-Bromo-2-chlorobenzene finds application in Gas Chromatography and Liquid Chromatography analysis. It is also used as an intermediate in pharmaceutical and synthetic chemistry. Further, it acts as a reagent in the preparation of arylpiperidines and aryltetrahydropyridines as 5-HT2C agonists.

Synthesis Reference(s)

Organic Syntheses, Coll. Vol. 3, p. 185, 1955Tetrahedron Letters, 33, p. 3167, 1992 DOI: 10.1016/S0040-4039(00)79842-X

Check Digit Verification of cas no

The CAS Registry Mumber 694-80-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,9 and 4 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 694-80:
(5*6)+(4*9)+(3*4)+(2*8)+(1*0)=94
94 % 10 = 4
So 694-80-4 is a valid CAS Registry Number.
InChI:InChI=1/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H

694-80-4 Well-known Company Product Price

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  • (Code)Product description
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  • Detail
  • Alfa Aesar

  • (A11782)  1-Bromo-2-chlorobenzene, 98+%   

  • 694-80-4

  • 50g

  • 483.0CNY

  • Detail
  • Alfa Aesar

  • (A11782)  1-Bromo-2-chlorobenzene, 98+%   

  • 694-80-4

  • 250g

  • 1695.0CNY

  • Detail
  • Alfa Aesar

  • (A11782)  1-Bromo-2-chlorobenzene, 98+%   

  • 694-80-4

  • 1000g

  • 3410.0CNY

  • Detail

694-80-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Bromochlorobenzene

1.2 Other means of identification

Product number -
Other names 1-bromo-2-chloro-benzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:694-80-4 SDS

694-80-4Synthetic route

2-Chloroaniline
95-51-2

2-Chloroaniline

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
Stage #1: o-chloroaniline With potassium hydrogensulfate; sodium bromide In water at 9 - 40℃; for 3h;
Stage #2: With sodium bromide; tin(ll) chloride at 92 - 95℃; Temperature;
94%
With trimethylsilyl bromide; N-benzyl-N,N,N-triethylammonium chloride; sodium nitrite In tetrachloromethane 1.) 0 deg C, 1.5 h, 2.) r.t., 22 h;83%
With hydrogen bromide Diazotization.Behandlung mit CuBr;
With hydrogen bromide; acetic acid at 5 - 10℃; Einleiten von N2O3 und anschliessendes Erhitzen;
Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuBr und HBr in der Waerme;
(2-bromophenyl)(mesityl)iodonium trifluoromethanesulfonate

(2-bromophenyl)(mesityl)iodonium trifluoromethanesulfonate

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
With copper(l) chloride In acetonitrile at 80℃; for 2h;80%
2-Chlorobenzeneboronic acid
3900-89-8

2-Chlorobenzeneboronic acid

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
With tetrabutylammomium bromide; copper(ll) bromide In water at 100℃; Sealed tube;82%
o-chlorophenylhydrazine hydrochloride
41052-75-9

o-chlorophenylhydrazine hydrochloride

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
With boron tribromide; dimethyl sulfoxide at 80℃; for 1h;81%
chlorobenzene
108-90-7

chlorobenzene

A

bromochlorobenzene
106-39-8

bromochlorobenzene

B

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
With N-Bromosuccinimide; iron(III) chloride In acetonitrile for 2h;A 57%
B 38%
With potassium bromate In sulfuric acid; acetic acid for 1h; Heating; Yields of byproduct given;A 52%
B n/a
With potassium bromate In sulfuric acid; acetic acid for 1h; Heating; Yield given;A 52%
B n/a
2-Chlorobenzenediazonium o-benzenedisulfonimide

2-Chlorobenzenediazonium o-benzenedisulfonimide

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
With tetrabutylammomium bromide; copper In acetonitrile at 20℃; for 0.75h; Substitution;61%
With tetrabutylammomium bromide In acetonitrile at 60℃; for 0.75h; Substitution;52%
o-Bromobenzenediazonium o-benzenedisulfonimide

o-Bromobenzenediazonium o-benzenedisulfonimide

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
With N-benzyl-N,N,N-triethylammonium chloride; copper In acetonitrile at 20℃; for 0.75h; Substitution;63%
2-bromoaniline
615-36-1

2-bromoaniline

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
With chloro-trimethyl-silane; N-benzyl-N,N,N-triethylammonium chloride; sodium nitrite In tetrachloromethane 1.) 0 deg C, 1.5 h, 2.) r.t., 14 h;91%
bromochlorobenzene
106-39-8

bromochlorobenzene

A

1-bromo-3-chlorobenzene
108-37-2

1-bromo-3-chlorobenzene

B

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
With aluminum (III) chloride; lithium chloride at 170℃; for 1h; Reagent/catalyst;
2'-chloro-sec-phenethyl alcohol
13524-04-4

2'-chloro-sec-phenethyl alcohol

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
With 1,10-Phenanthroline; oxygen; potassium carbonate In dimethyl sulfoxide at 140℃; under 3750.38 Torr; for 36h; Autoclave; Molecular sieve;53 %Chromat.
bromobenzene
108-86-1

bromobenzene

A

bromochlorobenzene
106-39-8

bromochlorobenzene

B

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
With tert-butylhypochlorite; Na(1+) faujasite X; hydrogen cation In acetonitrile at 40℃; for 336h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
With lead(II,IV) oxide; trifluoroacetic acid; sodium chloride at 20℃; Product distribution;
With N-chloro-succinimide; boron trifluoride at 20℃; for 24h;
2-chloroaniline hydrochloride
137-04-2

2-chloroaniline hydrochloride

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
Stage #1: 2-chloroaniline hydrochloride With ethyl nitrite In ethanol at -5 - 0℃; for 0.5h;
Stage #2: With ammonium persulfate; bromine In tetrachloromethane; diethyl ether for 0.25h; Heating; Further stages.;
silver-<2-chloro benzoate>

silver-<2-chloro benzoate>

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
With tetrachloromethane; bromine
2-chloro-phenyl-mercury acetate

2-chloro-phenyl-mercury acetate

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
With bromine; acetic acid
1,2-dibromo-3-chlorobenzene
104514-49-0

1,2-dibromo-3-chlorobenzene

A

1-bromo-3-chlorobenzene
108-37-2

1-bromo-3-chlorobenzene

B

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
Stage #1: 3-chloro-1,2-dibromobenzene With TurboGrignard In tetrahydrofuran at -40℃;
Stage #2: With hydrogenchloride In tetrahydrofuran Further stages. Title compound not separated from byproducts.;
2-chlorobenzenediazonium
17333-83-4

2-chlorobenzenediazonium

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
With copper(I) bromide
chlorobenzene
108-90-7

chlorobenzene

A

bromochlorobenzene
106-39-8

bromochlorobenzene

B

1-bromo-3-chlorobenzene
108-37-2

1-bromo-3-chlorobenzene

C

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
With gold(III) chloride; N-Bromosuccinimide In dichloromethane at 80℃; for 12h; Inert atmosphere;
bromobenzene
108-86-1

bromobenzene

A

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

B

m and p-chloro-bromobenzene

m and p-chloro-bromobenzene

Conditions
ConditionsYield
With chlorine; iron(III) chloride at 75℃;
With aluminium trichloride; chlorine at 75℃;
chlorobenzene
108-90-7

chlorobenzene

A

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

B

m and p-chloro-bromobenzene

m and p-chloro-bromobenzene

Conditions
ConditionsYield
With bromine; iron at 55 - 65℃;
With bromine; aluminium at 55 - 65℃;
Ni(o-ClPh)(Ph)(PEt3)2

Ni(o-ClPh)(Ph)(PEt3)2

A

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

B

2-chloro-1,1'-biphenyl
2051-60-7

2-chloro-1,1'-biphenyl

Conditions
ConditionsYield
With bromine In diethyl ether for 0.5h; Ambient temperature; Yield given;
Ni(o-ClPh)(p-tol)(PEt3)2

Ni(o-ClPh)(p-tol)(PEt3)2

A

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

B

2-chloro-4'-methyl-1,1'-biphenyl
19493-33-5

2-chloro-4'-methyl-1,1'-biphenyl

Conditions
ConditionsYield
With bromine In diethyl ether for 0.5h; Ambient temperature; Yield given;
benzene
71-43-2

benzene

A

bromochlorobenzene
106-39-8

bromochlorobenzene

B

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1,1,2,2-tetrafluoroethanesulfonic acid; N-Bromosuccinimide / 4 h / 20 °C
2: 1,1,2,2-tetrafluoroethanesulfonic acid; N-chloro-succinimide / 24 h / 20 °C
View Scheme
Multi-step reaction with 2 steps
1: acetic acid; N-Bromosuccinimide / 1,2-dichloro-ethane / 0.5 h / 80 °C
2: trichloroisocyanuric acid; acetic acid / 1,2-dichloro-ethane / 0.5 h / 80 °C / Green chemistry
View Scheme
bromobenzene
108-86-1

bromobenzene

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
With thallium chloride at 100℃; durch Chlorieren;
chlorobenzene
108-90-7

chlorobenzene

A

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

B

4-chloro-1-bromo-benzene; 3-chloro-1-bromo-benzene

4-chloro-1-bromo-benzene; 3-chloro-1-bromo-benzene

Conditions
ConditionsYield
With bromine at 375℃;
chlorobenzene
108-90-7

chlorobenzene

liquid bromine

liquid bromine

A

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

B

4-chloro-1-bromo-benzene; 3-chloro-1-bromo-benzene

4-chloro-1-bromo-benzene; 3-chloro-1-bromo-benzene

Conditions
ConditionsYield
With aluminium amalgam at 20℃;
Ni(C2Cl3)(o-tol)(PEt3)2

Ni(C2Cl3)(o-tol)(PEt3)2

A

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

B

2-chloro-2'-methyl-1,1'-biphenyl
19493-31-3

2-chloro-2'-methyl-1,1'-biphenyl

C

chlorobenzene
108-90-7

chlorobenzene

Conditions
ConditionsYield
With bromine In diethyl ether for 0.5h; Ambient temperature; Yield given;
Ni(o-ClPh)(o-tol)(PMe2Ph)2

Ni(o-ClPh)(o-tol)(PMe2Ph)2

A

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

B

2-chloro-2'-methyl-1,1'-biphenyl
19493-31-3

2-chloro-2'-methyl-1,1'-biphenyl

C

chlorobenzene
108-90-7

chlorobenzene

Conditions
ConditionsYield
With bromine In diethyl ether for 0.5h; Ambient temperature; Yield given;
1-Bromo-2-iodobenzene
583-55-1

1-Bromo-2-iodobenzene

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 3-chloro-benzenecarboperoxoic acid
2: copper(l) chloride / acetonitrile / 2 h / 80 °C
View Scheme
Ni(o-ClPh)(mes)(PMe2Ph)2

Ni(o-ClPh)(mes)(PMe2Ph)2

A

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

B

2,4,6-trimethylphenyl bromide
576-83-0

2,4,6-trimethylphenyl bromide

C

chlorobenzene
108-90-7

chlorobenzene

D

3-Bromo-2'-chloro-2,4,6-trimethyl-biphenyl

3-Bromo-2'-chloro-2,4,6-trimethyl-biphenyl

Conditions
ConditionsYield
With bromine In diethyl ether for 0.5h; Ambient temperature; Yield given;
chlorobenzene
108-90-7

chlorobenzene

A

bromochlorobenzene
106-39-8

bromochlorobenzene

B

1-bromo-3-chlorobenzene
108-37-2

1-bromo-3-chlorobenzene

C

2-bromo-1-chlorobenzene
694-80-4

2-bromo-1-chlorobenzene

D

1-chloro-1,2,3,4,5,6-hexabromocyclohexane
88400-64-0

1-chloro-1,2,3,4,5,6-hexabromocyclohexane

E

HBr

HBr

Conditions
ConditionsYield
With bromine at 25℃; for 16h; Irradiation; Yield given;

694-80-4Relevant articles and documents

Direct bromodeboronation of arylboronic acids with CuBr2 in water

Tang, Yan-Ling,Xia, Xian-Song,Gao, Jin-Chun,Li, Min-Xin,Mao, Ze-Wei

supporting information, (2021/01/05)

An efficient and practical method has been developed for the preparation of aryl bromides via the direct bromodeboronation of arylboronic acids with CuBr2 in water. This strategy provides several advantages, such as being ligand-free, base-free, high yielding, and functional group tolerant.

Dehydroxyalkylative halogenation of C(aryl)-C bonds of aryl alcohols

Liu, Mingyang,Zhang, Zhanrong,Liu, Huizhen,Wu, Tianbin,Han, Buxing

supporting information, p. 7120 - 7123 (2020/07/14)

We herein report Cu mediated side-directed dehydroxyalkylative halogenation of aryl alcohols. C(aryl)-C bonds of aryl alcohols were effectively cleaved, affording the corresponding aryl chlorides, bromides and iodides in excellent yields. Aryl alcohols could serve as both aromatic electrophilic and radical synthetic equivalents during the reaction.

Amplification of Trichloroisocyanuric Acid (TCCA) Reactivity for Chlorination of Arenes and Heteroarenes via Catalytic Organic Dye Activation

Rogers, David A.,Bensalah, Adam T.,Espinosa, Alvaro Tomas,Hoerr, John L.,Refai, Fares H.,Pitzel, Amy K.,Alvarado, Juan J.,Lamar, Angus A.

supporting information, p. 4229 - 4233 (2019/06/17)

Heteroarenes and arenes that contain electron-withdrawing groups are chlorinated in good to excellent yields (scalable to gram scale) using trichloroisocyanuric acid (TCCA) and catalytic Brilliant Green (BG). Visible-light activation of BG serves to amplify the electrophilic nature of TCCA, providing a mild alternative approach to acid-promoted chlorination of deactivated (hetero)aromatic substrates. The utility of the TCCA/BG system is demonstrated through comparison to other chlorinating reagents and by the chlorination of pharmaceuticals including caffeine, lidocaine, and phenazone.

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