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Bromoacetyl Chloride CAS No.:22118-09-8

Bromoacetyl Chloride CAS No.:22118-09-8

Bromoacetyl chloride Specification The Bromoacetyl chloride, with the CAS registry number 22118-09-8, is also known as 2-Bromoacetylchloride. It belongs to the product categories of Acid Halides; Carbonyl Compounds; Organic Building Blocks. Its EINECS number is 244-790-7. This chemical's...

Name

Bromoacetyl chloride

EINECS

244-790-7

CAS No.

22118-09-8

Density

1.891 g/cm3

Solubility

Soluble in benzene, ether, chloroform

Melting Point


Formula

C2H2BrClO

Boiling Point

126.999 °C at 760 mmHg

Molecular Weight

157.39

Flash Point

26.15 °C

Transport Information

UN 3265 8/PG 2

Appearance

Colorless transparent or light yellow liquid

Safety

26-36/37/39-45

Risk Codes

14-34-37

Molecular Structure

1.jpg

Hazard Symbols

2(002).jpgC

Synonyms

2-Bromoacetylchloride;NSC 97376;




Bromoacetyl chloride Specification

The Bromoacetyl chloride, with the CAS registry number 22118-09-8, is also known as 2-Bromoacetylchloride. It belongs to the product categories of Acid Halides; Carbonyl Compounds; Organic Building Blocks. Its EINECS number is 244-790-7. This chemical's molecular formula is C2H2BrClO and molecular weight is 157.39. What's more, its systematic name is Bromoacetyl chloride. This chemical is used as raw material to prepare ω-Bromo-2,4-dichloroacetophenone. It is also a kind of intermediate to prepare imazalil and propiconazole.

Physical properties of Bromoacetyl chloride are: (1)ACD/LogP: 1.154; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 4.44; (6)ACD/BCF (pH 7.4): 4.44; (7)ACD/KOC (pH 5.5): 101.17; (8)ACD/KOC (pH 7.4): 101.17; (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: 1.486; (14)Molar Refractivity: 23.925 cm3; (15)Molar Volume: 83.235 cm3; (16)Polarizability: 9.485×10-24cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 1.891 g/cm3; (19)Flash Point: 26.15 °C; (20)Enthalpy of Vaporization: 36.479 kJ/mol; (21)Boiling Point: 126.999 °C at 760 mmHg; (22)Vapour Pressure: 11.4 mmHg at 25°C.

Uses of Bromoacetyl chloride: it can be used to produce 1-bromoacetyl-pyrrolidine at the temperature of 0 °C. It will need regent Et3N and solvent CH2Cl2 with the reaction time of 2 hours. The yield is about 60%.

1.jpg


When you are using this chemical, please be cautious about it as the following:

This chemical can react violently with water. It can cause burns and is irritating to respiratory system. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you need to seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:

(1)SMILES: BrCC(Cl)=O 

(2)Std. InChI: InChI=1S/C2H2BrClO/c3-1-2(4)5/h1H2 

(3)Std. InChIKey: SYZRZLUNWVNNNV-UHFFFAOYSA-N


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