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598-21-0

Basic Information
CAS No.: 598-21-0
Name: Bromoacetyl bromide
Molecular Structure:
Molecular Structure of 598-21-0 (Bromoacetyl bromide)
Formula: C2H2Br2O
Molecular Weight: 201.84
Synonyms: Acetyl bromide, bromo-;2-Bromoacetyl bromide;
EINECS: 209-923-5
Density: 2.373 g/cm3
Melting Point: 148.5°C (estimate)
Boiling Point: 148.5 °C at 760 mmHg
Flash Point: 72 °C
Solubility: REACTS
Appearance: COA
Hazard Symbols: CorrosiveC
Risk Codes: 34-14
Safety: 26-36/37/39-45-8-30-25
Transport Information: UN 2513 8/PG 2
PSA: 17.07000
LogP: 1.30280
Synthetic route
506-96-7

Acetyl bromide

598-21-0

2-Bromoacetyl bromide

Conditions
ConditionsYield
With bromine
593-92-0

vinylidene dibromide

598-21-0

2-Bromoacetyl bromide

Conditions
ConditionsYield
With oxygen
64-19-7

acetic acid

598-21-0

2-Bromoacetyl bromide

Conditions
ConditionsYield
With phosphorus; bromine; acetic anhydride
With phosphorus; bromine
With bromine; phosphorus tribromide at 20 - 75℃; Bromination; Hell-Vollhard-Zelinskii reaction;
With phosphorus; bromine; sodium hydroxide at 110℃; Hell-Vollard-Zelinsky halogenation; regioselective reaction;
79-08-3

bromoacetic acid

598-21-0

2-Bromoacetyl bromide

Conditions
ConditionsYield
With phosphorus tribromide
75-36-5

acetyl chloride

598-21-0

2-Bromoacetyl bromide

Conditions
ConditionsYield
With bromine at 100 - 140℃;
With bromine
7726-95-6

bromine

64-19-7

acetic acid

red phosphorus

red phosphorus

598-21-0

2-Bromoacetyl bromide

7726-95-6

bromine

64-19-7

acetic acid

red phosphorus

red phosphorus

A

79-08-3

bromoacetic acid

B

598-21-0

2-Bromoacetyl bromide

Conditions
ConditionsYield
at 100 - 105℃;
7726-95-6

bromine

64-19-7

acetic acid

phosphorus

phosphorus

A

506-96-7

Acetyl bromide

B

79-08-3

bromoacetic acid

C

598-21-0

2-Bromoacetyl bromide

593-92-0

vinylidene dibromide

air

air

598-21-0

2-Bromoacetyl bromide

593-92-0

vinylidene dibromide

oxygen

oxygen

598-21-0

2-Bromoacetyl bromide

593-92-0

vinylidene dibromide

hypobromous acid

hypobromous acid

A

598-21-0

2-Bromoacetyl bromide

B

1.1.1.4.4.4-hexabromobutanone

1.1.1.4.4.4-hexabromobutanone

540-49-8

cis+trans-dibromoethylene

A

631-64-1

dibromoacetic acid

B

3039-13-2

dibromoacetaldehyde

C

598-21-0

2-Bromoacetyl bromide

Conditions
ConditionsYield
bei der Oxydation;
540-49-8

cis+trans-dibromoethylene

nitrogen dioxide

nitrogen dioxide

A

463-51-4

Ketene

B

78957-22-9

bromoketene

C

598-21-0

2-Bromoacetyl bromide

Conditions
ConditionsYield
at -259.15℃; Kinetics; Photolysis;
110-58-7

1-pentanamine

598-21-0

2-Bromoacetyl bromide

89520-10-5

2-bromo-N-pentylacetamide

Conditions
ConditionsYield
With potassium carbonate In dichloromethane; water at 0 - 20℃; for 6.5h;100%
With 1,2-dichloro-ethane at -10℃;
at -77℃;
111-92-2

dibutylamine

598-21-0

2-Bromoacetyl bromide

40124-27-4

N,N-dibutylbromoacetamide

Conditions
ConditionsYield
With potassium carbonate In dichloromethane; water at 0 - 20℃; for 6.5h;100%
In 1,2-dichloro-ethane at -20 - 20℃; for 0.833333h;95%
In dichloromethane at 0 - 20℃; for 1h;92%
109-73-9

N-butylamine

598-21-0

2-Bromoacetyl bromide

67056-04-6

2-bromo-N-butylacetamide

Conditions
ConditionsYield
With potassium carbonate In dichloromethane; water at 0 - 20℃; for 6.5h;100%
In dichloromethane at 0 - 20℃; for 1.5h; Inert atmosphere;96%
With potassium carbonate In dichloromethane; water at 0 - 20℃; for 12.5h;95%
108-18-9

diisopropylamine

598-21-0

2-Bromoacetyl bromide

51321-61-0

2-bromo-N,N-diisopropylacetamide

Conditions
ConditionsYield
In dichloromethane at 0 - 20℃; for 1.5h; Inert atmosphere;100%
In dichloromethane at -60 - 20℃; for 1h;98%
In dichloromethane at 0 - 20℃; for 1h;88%
107-10-8

propylamine

598-21-0

2-Bromoacetyl bromide

5395-67-5

2‐bromo‐N‐propylacetamide

Conditions
ConditionsYield
With potassium carbonate In dichloromethane; water at 5 - 20℃; for 12.5h;100%
With potassium carbonate In dichloromethane; water at 5 - 25℃; for 12.5h;100%
With sodium carbonate In water pH=9 - 10;99%
111-26-2

hexan-1-amine

598-21-0

2-Bromoacetyl bromide

5439-32-7

2-bromo-N-hexylethanamide

Conditions
ConditionsYield
With potassium carbonate In dichloromethane; water at 5 - 20℃; for 4h;100%
With potassium carbonate In dichloromethane; water at 4 - 20℃; for 4.5h;100%
With potassium carbonate In dichloromethane; water at 0 - 20℃; for 6.5h;100%
111-68-2

1-Heptylamine

598-21-0

2-Bromoacetyl bromide

5463-16-1

2-bromo-N-heptylacetamide

Conditions
ConditionsYield
With potassium carbonate In dichloromethane; water at 0 - 20℃; for 6.5h;100%
In tetrahydrofuran; water99%
In tetrahydrofuran; water99%
In tetrahydrofuran; water99%
With 1,2-dichloro-ethane at -10℃;
2016-57-1

1-aminodecane

598-21-0

2-Bromoacetyl bromide

5345-68-6

2-bromo-N-decyl-acetamide

Conditions
ConditionsYield
With potassium carbonate In dichloromethane; water at 4 - 20℃; for 4.5h;100%
With 1,2-dichloro-ethane at -10℃;
With triethylamine In dichloromethane at -15℃;
With potassium carbonate In dichloromethane; water at 4 - 20℃; for 12.5h;
With potassium carbonate In dichloromethane; water at 4 - 20℃; for 12h;
2216-51-5

(-)-menthol

598-21-0

2-Bromoacetyl bromide

16832-20-5, 32815-12-6, 55284-67-8

(1R,2S,5R)-menthol bromoacetate

Conditions
ConditionsYield
With pyridine In dichloromethane at -78℃; Inert atmosphere;100%
With potassium carbonate In dichloromethane at 0 - 20℃; Inert atmosphere;95%
With N,N-dimethyl-aniline In diethyl ether 1.) 0 deg C, 3 h, 2.) reflux, 3 h;77%
598-21-0

2-Bromoacetyl bromide

62-53-3

aniline

5326-87-4

N-(phenyl)bromoacetamide

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃;100%
With triethylamine In dichloromethane at 0℃; for 1.25h; Inert atmosphere;99%
With sodium carbonate In water pH=9 - 10;99%
598-21-0

2-Bromoacetyl bromide

95-53-4

o-toluidine

5332-69-4

2-bromo-N-(2'-methylphenyl)acetamide

Conditions
ConditionsYield
With pyridine In chloroform at 20℃; for 24h;100%
With sodium carbonate In water pH=9 - 10;99%
With potassium carbonate In dichloromethane; water at 0℃; for 1h;98%
598-21-0

2-Bromoacetyl bromide

100-61-8

N-methylaniline

29182-97-6

N-methyl-2-bromoacetanilide

Conditions
ConditionsYield
With triethylamine In ethyl acetate at 0 - 25℃; for 0.5h;100%
In dichloromethane at 0 - 20℃; for 1h;98%
With triethylamine In dichloromethane at 20℃; for 16h;88%
598-21-0

2-Bromoacetyl bromide

100-46-9

benzylamine

2945-03-1

N-benzyl-2-bromoacetamide

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃; for 2h;100%
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 16h;99%
In dichloromethane at 0 - 20℃; for 0.5h; Inert atmosphere;98%
598-21-0

2-Bromoacetyl bromide

39755-31-2

1-bromo-3-diazopropan-2-one

Conditions
ConditionsYield
With calcium oxide In diethyl ether at 0℃; for 3.08333h; Arndt-Eistert synthesis;100%
In diethyl ether at 0℃;88%
98-16-8

3-trifluoromethylaniline

598-21-0

2-Bromoacetyl bromide

25625-57-4

2-bromo-N-(3′-(trifluoromethyl)phenyl)acetamide

Conditions
ConditionsYield
In dichloromethane at 10 - 20℃; for 1.58333h;100%
Stage #1: 3-trifluoromethylaniline; 2-Bromoacetyl bromide In dichloromethane at 10 - 20℃; for 1.58333h;
Stage #2: With sodium hydrogencarbonate In dichloromethane for 0.666667h;
100%
Stage #1: 3-trifluoromethylaniline; 2-Bromoacetyl bromide In dichloromethane at 10 - 20℃; for 1.58333h;
Stage #2: With sodium hydrogencarbonate In dichloromethane; water for 0.833333h;
100%
598-21-0

2-Bromoacetyl bromide

108-44-1

1-amino-3-methylbenzene

5439-17-8

2-bromo-N-(3-methylphenyl)acetamide

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃;100%
With sodium carbonate In water pH=9 - 10;99%
With triethylamine In dichloromethane at 0℃; for 1h;93%
34820-01-4

methyl 2,3,6-tri-O-benzoyl-β-D-galactopyranoside

598-21-0

2-Bromoacetyl bromide

114682-52-9

methyl 2,3,6-tri-benzoyl-4-O-(bromoacetyl)-β-D-galactopyranoside

Conditions
ConditionsYield
With tetramethylurea In 1,2-dimethoxyethane for 24h; Ambient temperature;100%
110-91-8

morpholine

598-21-0

2-Bromoacetyl bromide

40299-87-4

N-(bromoacetyl)morpholine

Conditions
ConditionsYield
In dichloromethane at 0 - 20℃; for 1.5h; Inert atmosphere;100%
With triethylamine In dichloromethane at 0℃; for 2h; Inert atmosphere;91%
With potassium phosphate In dichloromethane for 3h; Inert atmosphere;89%
928-96-1

(Z)-3-Hexen-1-ol

598-21-0

2-Bromoacetyl bromide

90448-99-0

(Z)-3-hexenyl bromoacetate

Conditions
ConditionsYield
With pyridine In dichloromethane100%
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0℃;
85695-96-1

(1R,2S,3R,4S)-2-(2,2-dimethylpropoxy)-1,7,7-trimethylbicyclo<2.2.1>heptan-3-ol

598-21-0

2-Bromoacetyl bromide

88948-24-7

(1S,2R,3S)-3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo<2.2.1>hept-2-yl bromoacetate

Conditions
ConditionsYield
With silver cyanide In benzene for 0.333333h; Heating;100%
With silver cyanide In benzene at 80℃; for 0.333333h;
130533-09-4

2-[(4-methoxybenzyl)amino]-2-phenylacetonitrile

598-21-0

2-Bromoacetyl bromide

130533-00-5

N-(4-methoxybenzyl)-N-(1-cyanobenzyl)-2-bromoacetamide

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 0℃; for 1h;100%
130533-04-9

(3R)-2-(4-methoxybenzylamino)-3-benzyloxymethylbutyronitrile

598-21-0

2-Bromoacetyl bromide

130533-05-0

N-(4-methoxybenzyl)-N-<(2R)-2-benzyloxymethyl-1-cyanopropyl>-2-bromoacetamide

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 0℃; for 1h;100%
53518-15-3

Coumarin 151

598-21-0

2-Bromoacetyl bromide

78277-40-4

7-(bromoacetamido)-4-(trifluoromethyl)coumarin

Conditions
ConditionsYield
In tetrahydrofuran for 0.5h; Ambient temperature;100%
With triethylamine In dichloromethane at 0℃; for 3h;
82082-32-4

<5-chloro-2-<(phenylmethyl)amino>phenyl>(2,6-dichlorophenyl)methanone

598-21-0

2-Bromoacetyl bromide

82082-41-5

2-bromo-N-<4-chloro-2-(2,6-dichlorobenzoyl)phenyl>-N-(phenylmethyl)acetamide

Conditions
ConditionsYield
With pyridine In diethyl ether for 0.333333h; Ambient temperature;100%
598-21-0

2-Bromoacetyl bromide

2835-77-0

(2-aminophenyl)(phenyl)methanone

14439-71-5

2'-benzoyl-2-bromo-acetanilide

Conditions
ConditionsYield
100%
With potassium carbonate In acetonitrile at 20℃; for 1h;98%
With potassium carbonate In acetonitrile at 20℃; for 1h;98%
598-21-0

2-Bromoacetyl bromide

589-08-2

N-Methyl-N-phenethylamine

73391-97-6

N-methyl-N-2-phenylethyl-2-bromoacetamide

Conditions
ConditionsYield
In dichloromethane at -25 - 20℃;100%
With potassium carbonate In dichloromethane at 0 - 20℃; for 3h;
17061-62-0

N,N-bis(p-methoxybenzyl)amine

598-21-0

2-Bromoacetyl bromide

180747-36-8

2-Bromo-N,N-bis-(4-methoxy-benzyl)-acetamide

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 0℃; for 0.25h;100%
With triethylamine In dichloromethane at 0 - 20℃; for 4h; Schlenk technique; Inert atmosphere;
With potassium carbonate In dichloromethane at 0 - 20℃; for 0.5h; Inert atmosphere;
90719-32-7

(S)-4-Benzyl-2-oxazolidinone

598-21-0

2-Bromoacetyl bromide

129549-13-9

4S-3-(2-bromoacetyl)-4-(phenylmethyl)-2-oxazolidinone

Conditions
ConditionsYield
With n-butyllithium at -78 - 20℃; for 0.5h;100%
Stage #1: (S)-4-Benzyl-2-oxazolidinone With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere;
Stage #2: 2-Bromoacetyl bromide In tetrahydrofuran; hexane at -78 - 20℃; for 16.5h; Inert atmosphere;
92%
Stage #1: (S)-4-Benzyl-2-oxazolidinone With n-butyllithium In tetrahydrofuran; hexane at -78 - -60℃; for 0.5h;
Stage #2: 2-Bromoacetyl bromide In tetrahydrofuran; hexane at -78℃; for 1h;
87%
598-21-0

2-Bromoacetyl bromide

611-21-2

N,2-dimethylaniline

13508-79-7

N-methyl-N-(2-methylphenyl)-2-bromoacetamide

Conditions
ConditionsYield
With pyridine In dichloromethane for 1h; Ambient temperature;100%
115196-83-3

methyl 4-azido-3-O-benzyl-4,6-dideoxy-α-D-mannopyranoside

598-21-0

2-Bromoacetyl bromide

methyl 4-azido-3-O-benzyl-2-O-bromoacetyl-4,6-dideoxy-α-D-mannopyranoside

Conditions
ConditionsYield
With tetramethylurea In dichloromethane Ambient temperature;100%
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    598-21-0

    low price high quality Bromoacety bromide

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    Product Name: Bromoacety bromide CAS NO.: 598-21-0 Molecular formula: BrCH2COBr Molecular weight:

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  • bromoacetyl bromide

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    598-21-0

    bromoacetyl bromide

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  • Bromoacetyl bromide

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    598-21-0

    Bromoacetyl bromide

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    Bromoacetyl bromide Product Name: Bromoacetyl bromide Molecular Weight: 201.84 CAS NO: 598-21-0 EC NO: 209-923-5 Molecular Formula: BrCH

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    Bromoacetyl bromide

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    Bromoacetyl bromide

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    CAS NO.: 598-22-1 Molecular formula: C2H5COBr Molecular weight: 136.98 Property: Colo

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  • 1,2-DibromoethanoneCAS NO.:598-21-0

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    1,2-DibromoethanoneCAS NO.:598-21-0

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  • 598-21-0 	Bromoacetyl bromide

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    598-21-0

    598-21-0 Bromoacetyl bromide

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  • Bromoacetyl bromide

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    598-21-0

    MSDS/COA Download

    Bromoacetyl bromide

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    Product Description Name Bromoacetyl bromide CAS 598-21-0 Assay 99% Appearance

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  • Bromoacetyl bromide CAS:598-21-0

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    598-21-0

    Bromoacetyl bromide CAS:598-21-0

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  • Bromoacety Bromide CAS NO.598-21-0

  • Casno:

    598-21-0

    Bromoacety Bromide CAS NO.598-21-0

    Min.Order: 10 Gram

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Specification

The CAS registry number of Bromoacetyl bromide is 598-21-0. The IUPAC name is 2-bromoacetyl bromide. Its EINECS registry number is 209-923-5. In addition, the molecular formula is C2H2Br2O and the molecular weight is 201.84. It is a kind of dark brown-yellow liquid and belongs to the classes of Pharmaceutical Intermediates; Organics; Acid Halides; Carbonyl Compounds; Organic Building Blocks.

Physical properties about this chemical are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.93; (6)ACD/BCF (pH 7.4): 5.93; (7)ACD/KOC (pH 5.5): 124.42; (8)ACD/KOC (pH 7.4): 124.42; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 26.8 cm3; (15)Molar Volume: 85 cm3; (16)Polarizability: 10.62 ×10-24cm3; (17)Surface Tension: 45.6 dyne/cm ; (18)Density: 2.373 g/cm3; (19)Flash Point: 72 °C; (20)Enthalpy of Vaporization: 38.54 kJ/mol; (21)Boiling Point: 148.5 °C at 760 mmHg; (22)Vapour Pressure: 4.21 mmHg at 25°C.

Preparation of Bromoacetyl bromide: It can be prepared from acetic acid and bromine in the presence of phosphorus. Firstly, dry the red phosphorus for 2 hours. Then mix it with glacial acetic acid. Next, add the bromine with stirring. when add half of the bromine, you should heat it immediately. After adding the bromine, heat it to 140 °C for reaction 2 hours. By means of cooling and distilling you can get the product.

Bromoacetyl bromide can be prepared from acetic acid and bromine in the presence of phosphorus

Uses of Bromoacetyl bromide: it is mainly used in medicine intermediates. And it can react with 10H-phenothiazine to get 10-bromoacetyl-10H-phenothiazine. This reaction will need reagent pyridine and solvent toluene. The reaction time is 12 hours at reaction ambient temperature. In addition, the yield is about 45%.

Bromoacetyl bromide can react with 10H-phenothiazine to get 10-bromoacetyl-10H-phenothiazine

When you are using this chemical, please be cautious about it as the following:
This chemical can react violently with water and cause burns. So you should never add water to this product.During using it, wear suitable protective clothing, gloves and eye/face protection and avoid contact with eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). What's more, you should keep container dry.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(=O)CBr
(2)InChI: InChI=1/C2H2Br2O/c3-1-2(4)5/h1H2
(3)InChIKey: LSTRKXWIZZZYAS-UHFFFAOYAE

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