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Ethyl 2,3-dibromopropanoate

Ethyl 2,3-dibromopropanoate structure

CAS No:
3674-13-3
Formula:
C5H8Br2O2
Chemical Name:
Ethyl 2,3-dibromopropanoate
Synonyms:
Propanoic acid,2,3-dibromo-,ethyl ester;Propionic acid,2,3-dibromo-,ethyl ester;Ethyl 2,3-dibromopropanoate;Ethyl 2,3-dibromopropionate;Ethyl α,β-dibromopropionate;2,3-Dibromopropanoic acid ethyl ester;NSC 60552;2,3-Dibromopropionic acid ethyl ester;131699-99-5
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless to yellow liquid

Ethyl 2,3-dibromopropanoate Basic Attributes

Molecular Weight：

259.92

Exact Mass：

259.92

BRN：

636046

EC Number：

222-941-8

NSC Number：

60552

HScode：

29159080

Characteristics

PSA：

26.3

XLogP3：

2.1

Appearance：

clear colorless to yellow liquid

Density：

1.7882 g/cm³ @ Temp: 0 °C

Boiling Point：

214.5 °C

Flash Point：

197 °F

Refractive Index：

1.512

Water Solubility：

H2O: Insoluble

Storage Conditions：

Store below +30°C.

Toxicity：

LD50 orally in Rabbit: 240 mg/kg LD50 dermal Rabbit 230 mg/kg

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 2922 8/PG 2

wgk germany：

hazard class code：

22-24-34

safety instructions：

26-36/37/39-45

RTECS Number：

UA2458382

Marks：

Precautionary statement(s)：

P280-P301 + P310-P305 + P351 + P338-P310

Hazard Statements：

H301 + H311-H314

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P361, P363, P405, and P501|Aggregated GHS information provided by 138 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Ethyl 2,3-dibromopropanoate Use and Manufacturing

Methods of Manufacturing

General procedure: A solution of 1.2 mol of BrGeneral procedure: in a 25 ml flask containing BIL 1a (30percent) andwater (5 ml), pure alkene 3 (3.0 mmol) was added, maintaining thetemperature between 10–20 C. Then, Br2 (3.0 mmol) was added dropwise bya syringe under continuous stirring as rapidly as the color is destroyed. After allthe bromine has been added, the resulting reaction mixture was stirred for anadditional 15 min at room temperature. Solid compounds 4 were filtrated andpurified by crystallization, while the remaining BIL/water solution was readyfor reusing. Conversely, an extraction using ethyl acetate was carried out toseparate not solid dibromide derivatives 4 from the mixture. The combinedorganic extract was washed with water and dried over anhydrous sodiumsulfate, while the remaining solution (BIL/water) was ready for reusing asabove. After evaporation of ethyl acetate the crude product was purified byflash chromatography over silica gel (ethane-diethyl ether 9:1). All products4a–k are identified with their appropriate stereoconfiguration (whereverapplicable) by comparison with authentic samples.7a, 19–23

Manufacturing Info：

Propanoic acid, 2,3-dibromo-, ethyl ester: ACTIVE

Computed Properties

Molecular Weight:259.92
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:259.88706
Monoisotopic Mass:257.88910
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:95
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 2,3-dibromopropanoate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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Ethyl 2,3-dibromopropanoate

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