Methyl 2-bromobutyrate - CAS 3196-15-4
Catalog: |
BB021113 |
Product Name: |
Methyl 2-bromobutyrate |
CAS: |
3196-15-4 |
Synonyms: |
methyl 2-bromobutanoate |
IUPAC Name: | methyl 2-bromobutanoate |
Description: | Methyl 2-bromobutyrate (CAS# 3196-15-4) is a useful research chemical. |
Molecular Weight: | 181.03 |
Molecular Formula: | C5H9BrO2 |
Canonical SMILES: | CCC(C(=O)OC)Br |
InChI: | InChI=1S/C5H9BrO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H3 |
InChI Key: | UFQQDNMQADCHGH-UHFFFAOYSA-N |
Boiling Point: | 137-138 °C (50 mmHg) |
Purity: | 99 % |
Density: | 1.573 g/cm3 |
Appearance: | Colorless to light yellow liquid |
Storage: | 2-8 °C |
MDL: | MFCD00009666 |
LogP: | 1.33290 |
GHS Hazard Statement: | H314 (97.83%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 82.5 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.97859 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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