(2S)-2-Bromo-3-methylbutanoic acid
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(2S)-2-Bromo-3-methylbutanoic acid
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CAS No:
26782-75-2
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Formula:
C5H9BrO2
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Chemical Name:
(2S)-2-Bromo-3-methylbutanoic acid
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Synonyms:
Butanoic acid,2-bromo-3-methyl-,(2S)-;Butanoic acid,2-bromo-3-methyl-,(S)-;Butyric acid,2-bromo-3-methyl-,(S)-;(2S)-2-Bromo-3-methylbutanoic acid;(S)-2-Bromo-3-methylbutyric acid;(S)-2-Bromoisovaleric acid;(-)-2-Bromo-3-methylbutyric acid;(S)-2-Bromo-3-methylbutanoic acid;(2S)-2-Bromo-3-methylbutanoic acid
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CAS No:
Characteristics
37.30000
1.49050
1.4210
39-44 °C
90-100 °C (0.5 mmHg)
>110ºC
1.4790 (estimate)
0.024mmHg at 25°C
3.00±0.10
Safety Information
UN 3261
3
20/21/22-34
26-27-28-36/37/39-45
C
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:181.03
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:179.97859
Monoisotopic Mass:179.97859
Topological Polar Surface Area:37.3
Heavy Atom Count:8
Complexity:90.4
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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