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Cas Database |
| Name |
Bromoacetyl chloride |
EINECS | 244-790-7 |
| CAS No. | 22118-09-8 | Density | 1.891 g/cm3 |
| PSA | 17.07000 | LogP | 1.14670 |
| Solubility | Soluble in benzene, ether, chloroform | Melting Point |
N/A |
| Formula | C2H2BrClO | Boiling Point | 126.999 °C at 760 mmHg |
| Molecular Weight | 157.394 | 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 |
|
Hazard Symbols |
 C
|
| Synonyms |
2-Bromoacetylchloride;NSC 97376; |
Article Data | 41 |
Bromoacetyl chloride Synthetic route
- 79-08-3
bromoacetic acid
- 22118-09-8
2-bromoacetyl chloride
| Conditions | Yield |
|---|---|
| With thionyl chloride for 2h; Reflux; Inert atmosphere; | 95.23% |
| With thionyl chloride at 80℃; for 6h; | 95% |
| With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 20℃; for 2h; Inert atmosphere; Cooling with ice; | 86.1% |
| Conditions | Yield |
|---|---|
| Oxydation; |
- 13094-51-4
bromoacetic anhydride
- 368-44-5
dichloro(fluoro)(phenyl)silane
A
- 22118-09-8
2-bromoacetyl chloride
B
- 1344680-40-5
PhSiFClOC(O)CH2Br
| Conditions | Yield |
|---|---|
| at 20℃; |
| Conditions | Yield |
|---|---|
| With aluminium trichloride In 1,2-dichloro-ethane for 1h; below 5 deg C; | 100% |
| With aluminum (III) chloride In dichloromethane at 0℃; for 0.5h; Inert atmosphere; | 34% |
- 22118-09-8
2-bromoacetyl chloride
- 24043-40-1
diethyl 2-[(4-methoxyphenyl)amino]malonate
- 106817-55-4
diethyl 2-(2-bromo-N-(4-methoxyphenyl)acetamido)malonate
| Conditions | Yield |
|---|---|
| In benzene for 2h; Heating; | 100% |
- 22118-09-8
2-bromoacetyl chloride
- 150650-99-0
1-(N-tert-butyloxycarbonyl-L-valyl-Nε-benzyloxycarbonyl-L-lysyl-L-leucyl)-2-(4-hydroxybenzyl) hydrazine
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In ethyl acetate for 0.5h; Ambient temperature; | 100% |
- 22118-09-8
2-bromoacetyl chloride
- 150651-04-0
1-(N-tert-butyloxycarbonyl-L-valyl-Nε-tosyl-L-lysyl-L-leucyl)-2-(4-hydroxybenzyl) hydrazine
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In ethyl acetate for 0.5h; Ambient temperature; | 100% |
- 22118-09-8
2-bromoacetyl chloride
- 50399-51-4, 215371-20-3
trans-1,2,3,4-tetrahydro-7-methoxy-1-naphthylamine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In dichloromethane | 100% |
- 22118-09-8
2-bromoacetyl chloride
- 53793-13-8
2,3-dimethyl-5-imino-Δ2-1,3,4-thiadiazoline
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane at 0 - 20℃; | 100% |
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%.
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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