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Bromoacetyl Bromide CAS No.:598-21-0

Bromoacetyl Bromide CAS No.:598-21-0

Bromoacetyl bromide 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...

Name

Bromoacetyl bromide

EINECS

209-923-5

CAS No.

598-21-0

Density

2.373 g/cm3

Solubility

REACTS

Melting Point


Formula

C2H2Br2O

Boiling Point

148.5 °C at 760 mmHg

Molecular Weight

201.84

Flash Point

72 °C

Transport Information

UN 2513 8/PG 2

Appearance

COA

Safety

26-36/37/39-45-8-30-25

Risk Codes

34-14

Molecular Structure

1.jpg

Hazard Symbols

2(002).jpgC

Synonyms

Acetyl bromide, bromo-;2-Bromoacetyl bromide;




Bromoacetyl bromide 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.

1.jpg

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%.

1.jpg


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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