2-Bromobutyric acid methyl ester
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2-Bromobutyric acid methyl ester
structure -
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CAS No:
3196-15-4
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Formula:
C5H9BrO2
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Chemical Name:
2-Bromobutyric acid methyl ester
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Synonyms:
2-BROMOBUTYRIC ACID METHYL ESTER;2-BROMO-N-BUTYRIC ACID METHYL ESTER;Methyl-2-bromo butryrate;2-Bromomethylbutyrate;METHYL 2-BROMOBUTYRATE, 1X1ML, MTBE, &;Methyl2-bromobutyrate,97%;(R,S)-2-Bromo-butyric acid methyl ester;2-bromo-butanoic acid methyl ester
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CAS No:
2-Bromobutyric acid methyl ester Basic Attributes
181.03
181.03
1720826
221-699-0
21974
TSCA listed
DTXSID40276080
Colorless to Light yellow
29159000
Characteristics
26.3
1.8
colorless liquid
1.573 g/mL at 25 °C (lit.)
116 °C
137-138 °C/50 mmHg (lit.)
155 °F
n20/D1.452(lit.)
Soluble in alcohol and ether, slightly soluble in water.
2-8°C
Inert atmosphere,Room Temperature
Safety Information
III
8
UN 3265 8/PG 3
3
C,Xi,F
26-36/37/39-45-24-16-9
C,Xi,F
P210
34-38-11
UN 3265 8/PG 3
|Danger|H314 (97.83%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory.
2-Bromobutyric acid methyl ester Use and Manufacturing
Used as pesticide and pharmaceutical intermediate
Methyl 2-bromobutyrate is used in the synthesis of racemic indene ester via Reformatsky reaction with 5-methoxy-1-indanone. (E)-2-methoxymethylene-butyric acid methyl ester via reformatsky reaction with α,α-dichloromethyl methyl ether in the presence of zinc dust.
Butanoic acid, 2-bromo-, methyl ester: ACTIVE
Computed Properties
Molecular Weight:181.03
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:179.97859
Monoisotopic Mass:179.97859
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:82.5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Bromobutyric acid methyl ester
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