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Bromoacetyl chloride

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Bromoacetyl chloride Basic information

Product Name:
Bromoacetyl chloride
Synonyms:
  • BROMOACETYL CHLORIDE
  • BROMOACETYL CHLORIDE, (CONTAINS VARYING AMOUNTS OF CHLOROACETYL CHLORIDE): 65%
  • Acetyl chloride, bromo-
  • JACS-22118-09-8
  • monobromo acetyl chloride
  • Bromoacetic acid chloride
  • 2-bromoethanoyl chloride
  • BroMoacetyl chloride >=95% (GC)
CAS:
22118-09-8
MF:
C2H2BrClO
MW:
157.39
EINECS:
244-790-7
Product Categories:
  • Acid Halides
  • Carbonyl Compounds
  • Organic Building Blocks
Mol File:
22118-09-8.mol
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Bromoacetyl chloride Chemical Properties

Boiling point:
127-128 °C (lit.)
Density 
1.89 g/mL at 20 °C
refractive index 
n20/D 1.495
storage temp. 
2-8°C
form 
Liquid
color 
Clear yellow to brown
BRN 
1209323
CAS DataBase Reference
22118-09-8(CAS DataBase Reference)
NIST Chemistry Reference
Bromoacetyl chloride(22118-09-8)
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Safety Information

Hazard Codes 
C
Risk Statements 
14-34-37
Safety Statements 
26-36/37/39-45
RIDADR 
UN 3265 8/PG 2
WGK Germany 
3
10-21
HazardClass 
8
PackingGroup 
II
HS Code 
29159000

MSDS

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Bromoacetyl chloride Usage And Synthesis

Chemical Properties

Clear yellow liquid

Mechanism of action

Bromoacetyl chloride photodissociation has been interpreted as a typical process in which nonadiabatic effects play a dominant role. Stationary points (minima and saddle points) and minimum energy paths are characterized on the S0 and S1 potential energy surfaces. The five adiabatic excited electronic states are converted to a nonadiabatic representation using a quadruple-path nonadiabatic approach. The nonadiabatic potential energy matrix of the first five excited singlet states is constructed along several cuts of the potential energy hypersurface. The thermochemical properties of the photodissociation reaction and the comparison with experimental translational energy profiles strongly suggest that nonadiabatic effects dominate the C-Br cleavage, but the reaction proceeds along an energetically allowed nonadiabatic path to excited state products rather than being nonadiabatically inhibited. This conclusion is also supported by the low values of nonadiabatic coupling along the C-Br cleavage reaction path[1].

Uses

Bromoacetyl chloride was used in the synthesis of α,α-disubstituted thioisomünchnones. It was also used in the preparation of 1,3-dibromoacetone.

General Description

The competitive photodissociation of bromoacetyl chloride has been studied by ab initio methods.

Precautions

readily hydrolyzed with formation of HCl; corrosive; lachrymator. This reagent should only be handled in a fume hood.

References

[1] ROSENDO VALERO; Donald G T. Nonadiabatic effects in C-Br bond scission in the photodissociation of bromoacetyl chloride.[J]. Journal of Chemical Physics, 2006, 125 19: 194305. DOI:10.1063/1.2363991.

Bromoacetyl chloride Preparation Products And Raw materials

Preparation Products

Raw materials

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