2-Bromo-3-methylbutyric acid
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2-Bromo-3-methylbutyric acid
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CAS No:
565-74-2
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Formula:
C5H9BrO2
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Chemical Name:
2-Bromo-3-methylbutyric acid
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Synonyms:
Butanoic acid,2-bromo-3-methyl-;Butyric acid,2-bromo-3-methyl-;Isovaleric acid,α-bromo-;2-Bromo-3-methylbutanoic acid;α-Bromoisovaleric acid;2-Bromo-3-methylbutyric acid;2-Bromoisovaleric acid;DL-α-Bromo-β-methylbutyric acid;(±)-2-Bromoisovaleric acid;(±)-α-Bromoisopentanoic acid;(±)-2-Bromo-3-methylbutyric acid;(±)-2-Bromo-3-methylbutanoic acid;NSC 167;NSC 6967;10323-40-7
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CAS No:
Safety Information
III
8
UN 3261 8/PG 2
3
R21/22;R34
S26-S36/37/39-S45
ES8055000
C:Corrosive;
P280-P305 + P351 + P338-P310
H302 + H312-H314
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Bromo-3-methylbutyric acid Use and Manufacturing
2-Bromo-3-methylbutyric acid was used to study the conjugation of glutathione (GSH) with (R)-and (S)-α-bromoisovaleric acid (BI) in the rat 1 .
Butanoic acid, 2-bromo-3-methyl-: ACTIVE
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
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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