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2-Bromopropionyl chloride

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Name

2-Bromopropionyl chloride

EINECS 230-466-2
CAS No. 7148-74-5 Density 1.712 g/cm3
PSA 17.07000 LogP 1.53520
Solubility soluble in water and react with water Melting Point N/A
Formula C3H4BrClO Boiling Point 133.858 °C at 760 mmHg
Molecular Weight 171.421 Flash Point 34.756 °C
Transport Information UN 2920 8/PG 2 Appearance clear yellow liquid
Safety 16-26-27-36/37/39-45-25 Risk Codes 10-34-36/37
Molecular Structure Molecular Structure of 7148-74-5 (2-Bromopropionyl chloride) Hazard Symbols CorrosiveC
Synonyms

Bromopropionyl chloride;Propionylchloride, 2-bromo- (6CI,8CI);2-Bromopropionicacid chloride;NSC 64455;α-Bromopropanoyl chloride;α-Bromopropionic acid chloride;α-Bromopropionyl chloride;

Article Data 52

2-Bromopropionyl chloride Synthetic route

598-72-1

2-Bromopropionic acid

7148-74-5

2-Bromopropionyl chloride

Conditions
ConditionsYield
With oxalyl dichloride for 6h; Heating;78%
With phosphorus trichloride
With phosphorus pentachloride In dichloromethane
79-03-8

propionyl chloride

7148-74-5

2-Bromopropionyl chloride

Conditions
ConditionsYield
With phosphorus; bromine
With N-Bromosuccinimide; hydrogen bromide In tetrachloromethane at 85℃; for 4h; Yield given;
With N-Bromosuccinimide; hydrogen bromide In dichloromethane
79-03-8

propionyl chloride

A

563-76-8

α-bromopropionyl bromide

B

7148-74-5

2-Bromopropionyl chloride

Conditions
ConditionsYield
With bromine am besten im Sonnenlicht;
7726-95-6

bromine

79-03-8

propionyl chloride

A

563-76-8

α-bromopropionyl bromide

B

7148-74-5

2-Bromopropionyl chloride

802294-64-0

propionic acid

7148-74-5

2-Bromopropionyl chloride

Conditions
ConditionsYield
Stage #1: propionic acid With thionyl chloride at 60℃; for 1h;
Stage #2: With hydrogen bromide; bromine In water at 60 - 70℃;
1188535-15-0

C14H20Cl2N2O2

7148-74-5

2-Bromopropionyl chloride

1188535-16-1

C17H23BrCl2N2O3

Conditions
ConditionsYield
With triethylamine In toluene at 20℃;100%

tert-butyl 3-(5-((methylamino)methyl)-1H-imidazol-2-yl)azetidine-1-carboxylate

7148-74-5

2-Bromopropionyl chloride

tert-butyl 3-(5-((2-bromo-N-methylpropanamido)methyl)-1H-imidazol-2-yl)azetidine-1-carboxylate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 2h;100%

tert-butyl 5-formyl-2-(4-methyltetrahydro-2H-pyran-4-yl)-1H-imidazole-1-carboxylate

74-89-5

methylamine

7148-74-5

2-Bromopropionyl chloride

2-bromo-N-methyl-N-((2-(4-methyltetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl)methyl)propanamide

Conditions
ConditionsYield
Stage #1: tert-butyl 5-formyl-2-(4-methyltetrahydro-2H-pyran-4-yl)-1H-imidazole-1-carboxylate; methylamine In tetrahydrofuran; methanol at 0 - 20℃; for 18h;
Stage #2: With sodium tetrahydroborate In tetrahydrofuran; methanol at 0 - 20℃; for 0.5h;
Stage #3: 2-Bromopropionyl chloride With triethylamine In dichloromethane at 20℃; for 2h;
100%
28165-50-6

2-amino-6-bromophenol

7148-74-5

2-Bromopropionyl chloride

868371-90-8

2-bromo-N-(3-bromo-2-hydroxyphenyl)propionamide

Conditions
ConditionsYield
With sodium hydrogencarbonate In water; ethyl acetate at 0℃; for 3h;99%
With sodium hydrogencarbonate In water; ethyl acetate at 0℃; for 3h;73%
1120-48-5

n-dioctylamine

7148-74-5

2-Bromopropionyl chloride

2-bromo-N,N-dioctylpropanamide

Conditions
ConditionsYield
With potassium carbonate In dichloromethane for 2h;98%

2-Bromopropionyl chloride Specification

The 2-Bromopropionyl chloride, with the CAS registry number 7148-74-5, is also known as α-Bromopropanoyl chloride. It belongs to the product categories of Aromatic Propionic Acids; Acid Halides; Carbonyl Compounds; Organic Building Blocks. Its EINECS number is 230-466-2. This chemical's molecular formula is C3H4BrClO and molecular weight is 171.42. What's more, its systematic name is 2-Bromopropanoyl chloride. This chemical should be sealed and stored in a cool and dry place.

Physical properties of 2-Bromopropionyl chloride are: (1)ACD/LogP: 1.109; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 4.10; (6)ACD/BCF (pH 7.4): 4.10; (7)ACD/KOC (pH 5.5): 95.61; (8)ACD/KOC (pH 7.4): 95.61; (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: 1.481; (14)Molar Refractivity: 28.517 cm3; (15)Molar Volume: 100.119 cm3; (16)Polarizability: 11.305×10-24cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 1.712 g/cm3; (19)Flash Point: 34.756 °C; (20)Enthalpy of Vaporization: 37.135 kJ/mol; (21)Boiling Point: 133.858 °C at 760 mmHg; (22)Vapour Pressure: 8.3 mmHg at 25°C.

Preparation of 2-Bromopropionyl chloride: this chemical can be prepared by alpha-Bromopropanoic acid at the ambient temperature. This reaction will need reagents oxalyl chloride, DMF and solvent benzene. The yield is about 63%.

2-Bromopropionyl chloride can be prepared by alpha-Bromopropanoic acid at the ambient temperature

Uses of 2-Bromopropionyl chloride: it can be used to produce 2-(alpha-Bromopropionyl)aminobenzamide at the ambient temperature. It will need regent pyridine and solvent CH2Cl2 with the reaction time of 24 hours. The yield is about 79%.

2-Bromopropionyl chloride can be used to produce 2-(alpha-Bromopropionyl)aminobenzamide at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable, so you should keep it away from sources of ignition - No smoking. It can cause burns and is irritating to eyes and respiratory system. You should avoid contact with eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must take off immediately all contaminated clothing. 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: BrC(C(Cl)=O)C
(2)Std. InChI: InChI=1S/C3H4BrClO/c1-2(4)3(5)6/h2H,1H3
(3)Std. InChIKey: OZGMODDEIHYPRY-UHFFFAOYSA-N 

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