2-Bromochlorobenzene

CAS No. 694-80-4

Formula: C6H4BrCl
Basic Info

1-Bromo-2-chlorobenzene is a reagent in the preparation of arylpiperidines and aryltetrahydropyridines as 5-HT2C agonists.

Formula
C6H4BrCl
Molecular Weight
191.453
Exact Mass
189.918
LogP
3.1025
PSA
0
Synonyms

1-Bromo-2-chlorobenzene

Benzenemethanol,2-bromo

ortho-bromochlorobenzene

2-BrC6H4CH2OH

(2-bromophenyl)methan-1-ol

ortho-bromobenzyl alcohol

Benzene, 1-bromo-2-chloro-

2-Br-Ph-CH2OH

o-chloro-bromo-benzene

o-Bromobenzyl alcohol

2-chloro-bromobenzene

2-chloro-1-bromobenzene

2-bromobenzyl alcohol

1-bromo-2-chloro-benzene

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Properties
Appearance & Physical State
clear colorless to yellow-orange liquid
Density
1.649
Boiling Point
204ºC
Melting Point
-2ºC
Flash Point
70ºC
Refractive Index
1.5805-1.5825
Storage Condition
2-8ºC
Safety Info
Safety Statements
S26-S37/39
WGK Germany
3
Risk Statements
R20/22; R36/37/38
HS Code
2903999090
RIDADR
UN 1230 3/PG 2
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass spectrum (electron ionization)
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Raman Spectrum Raman : 4880 A,100M,liquid
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1137.48
Temperature Control
110.
Method
isothermal
Comments
30. m/0.53 mm/1.5 μm, N2
Reference
Gerbino, T.C.Garbarino, G.Petit-Bon, P.Programmed temperature retention indices: calculation of linear programmed temperature retention indices of halogenated benzenes from isothermal dataAnn. Chim. (Rome)1996, 86, 63-75.
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1111.54
Temperature Control
70.
Method
isothermal
Comments
30. m/0.53 mm/1.5 μm, N2
Reference
Gerbino, T.C.Garbarino, G.Petit-Bon, P.Programmed temperature retention indices: calculation of linear programmed temperature retention indices of halogenated benzenes from isothermal dataAnn. Chim. (Rome)1996, 86, 63-75.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1123.72
Temperature Control
90.
Method
isothermal
Comments
30. m/0.53 mm/1.5 μm, N2
Reference
Gerbino, T.C.Garbarino, G.Petit-Bon, P.Programmed temperature retention indices: calculation of linear programmed temperature retention indices of halogenated benzenes from isothermal dataAnn. Chim. (Rome)1996, 86, 63-75.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
OV-1
Retention index
1097.6
Temperature Control
Method
temperature ramp
Comments
8. K/min; T<sub>start</sub>: 35. C; T<sub>end</sub>: 300. C
Reference
Gautzsch, R.Zinn, P.Use of incremental models to estimate the retention indexes of aromatic compoundsChromatographia1996, 43, 3/4, 163-176.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
OV-1
Retention index
1097.6
Temperature Control
Method
temperature ramp
Comments
8. K/min; T<sub>start</sub>: 35. C; T<sub>end</sub>: 300. C
Reference
Gautzsch, R.Zinn, P.Use of incremental models to estimate the retention indexes of aromatic compoundsChromatographia1996, 43, 3/4, 163-176.
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