2-Bromo-3-methylbutyric acid - CAS 565-74-2
Catalog: |
BB029408 |
Product Name: |
2-Bromo-3-methylbutyric acid |
CAS: |
565-74-2 |
Synonyms: |
Butanoic acid, 2-bromo-3-methyl-; Butyric acid, 2-bromo-3-methyl-; Isovaleric acid, α-bromo-; (±)-2-Bromo-3-methylbutanoic acid; (±)-2-Bromo-3-methylbutyric acid; (±)-2-Bromoisovaleric acid; (±)-α-Bromoisopentanoic acid; 2-Bromoisovaleric acid; DL-α-Bromo-β-methylbutyric acid; NSC 167; NSC 6967; α-Bromoisovaleric acid |
Related CAS: | 10323-40-7 (Deleted CAS)
|
IUPAC Name: | 2-bromo-3-methylbutanoic acid |
Molecular Weight: | 181.03 |
Molecular Formula: | C5H9BrO2 |
Canonical SMILES: | CC(C)C(C(=O)O)Br |
InChI: | InChI=1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8) |
InChI Key: | UEBARDWJXBGYEJ-UHFFFAOYSA-N |
Boiling Point: | 230°C |
Melting Point: | 40-44°C |
Purity: | ≥95% |
Density: | 1.513±0.06 g/cm3 |
Solubility: | Soluble in Alcohol, Water (Slightly) |
Appearance: | White to beige crystalline powder or chunks |
Storage: | Store at RT |
MDL: | MFCD00004210 |
LogP: | 1.49050 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | 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 |
Signal Word: | Danger |
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Complexity: | 90.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.97859 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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