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Ethyl 2-bromoisobutyrate

Ethyl 2-bromoisobutyrate structure

CAS No:
600-00-0
Formula:
C6H11BrO2
Chemical Name:
Ethyl 2-bromoisobutyrate
Synonyms:
Propanoic acid,2-bromo-2-methyl-,ethyl ester;Propionic acid,2-bromo-2-methyl-,ethyl ester;Isobutyric acid,α-bromo-,Et ester;Ethyl α-bromoisobutyrate;Ethyl 2-bromoisobutyrate;Ethyl 2-bromo-2-methylpropionate;α-Bromoisobutyric acid ethyl ester;Ethyl 2-bromo-2-methylpropanoate;Ethyl α-bromo-α-methylpropionate;2-Bromo-2-methylpropionic acid ethyl ester;2-Bromo-2-methylpropanoic acid ethyl ester;NSC 402034;NSC 9465;2-Bromoisobutyric acid ethyl ester;2-Bromoisobutanoic acid ethyl ester;Ethyl 2-bromoisobutanoate;Ethyl 2-bromisobutyrate;Ebib;Ethyl 2-methyl-2-bromopropionate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

colourless to slightly yellow liquid

Ethyl 2-bromoisobutyrate Basic Attributes

Molecular Weight：

195.05

Exact Mass：

195.05

BRN：

1098947

EC Number：

209-980-6

NSC Number：

402034|9465

DSSTox ID：

DTXSID4060523

HScode：

29159080

Characteristics

PSA：

26.30000

XLogP3：

2.07

Appearance：

Clear colorless to light yellow Liquid

Density：

1.4±0.1 g/cm3

Boiling Point：

163 °C

Flash Point：

140 °F

Refractive Index：

1.457

Water Solubility：

soluble in alcohol, ether. Insoluble in water.

Storage Conditions：

2-8°C

Vapor Pressure：

2.61 mmHg

Flammability characteristics：

Open flame is flammable; heat releases toxic bromide gas

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1992 3/PG 3

wgk germany：

hazard class code：

22-41-36/37/38

safety instructions：

26-39-37/39

Marks：

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food, oxidants and acids

Stability/Shelf Life：

Stable. Incompatible with acids, bases, reducing agents, oxidizing agents.

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H226-H302-H318

GHS Classification：

|Danger|H226 (98.57%): Flammable liquid and vapor [Warning Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P280, P281, P301+P312, P302+P352, P303+P361+P353, P305+P351+P338, P308+P313, P310, P321, P330, P333+P313, P363, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 140 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Ethyl 2-bromoisobutyrate Use and Manufacturing

Methods of Manufacturing

After the reaction of isobutyric acid and bromine, the product is esterified with ethanol to obtain the product.

Uses

It is an important pharmaceutical intermediate, mainly used in the preparation of hypolipidemic drugs and drugs for the treatment of atherosclerosis and thrombosis

Manufacturing Info：

Propanoic acid, 2-bromo-2-methyl-, ethyl ester: ACTIVE

Computed Properties

Molecular Weight:195.05
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:193.99424
Monoisotopic Mass:193.99424
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethanol

Isobutyric acid

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CAS No.: 600-00-0

Grade: Industrial Grade

Content: 99%

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Ethyl 2-bromoisobutyrate 600-00-0

CAS No.: 600-00-0

Grade: Industrial Grade

Content: 99%

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