Ethyl 4-Bromo-3-oxobutanoate - CAS 13176-46-0
Catalog: |
BB007492 |
Product Name: |
Ethyl 4-Bromo-3-oxobutanoate |
CAS: |
13176-46-0 |
Synonyms: |
4-bromo-3-oxobutanoic acid ethyl ester; ethyl 4-bromo-3-oxobutanoate |
IUPAC Name: | ethyl 4-bromo-3-oxobutanoate |
Description: | Ethyl 4-Bromo-3-oxobutanoate (CAS# 13176-46-0) is a useful research chemical. |
Molecular Weight: | 209.04 |
Molecular Formula: | C6H9BrO3 |
Canonical SMILES: | CCOC(=O)CC(=O)CBr |
InChI: | InChI=1S/C6H9BrO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3 |
InChI Key: | MGDWUTQKXCZNAJ-UHFFFAOYSA-N |
Boiling Point: | 231.6 °C |
Density: | 1.511 g/cm3 |
Appearance: | Light brown clear liquid |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
MDL: | MFCD07783015 |
LogP: | 0.90360 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113024446-A | Method for preparing amlodipine besylate intermediate by using micro-reaction device | 20210315 |
CN-112374994-A | Preparation method of pentafluoroaniline | 20201208 |
US-2021230173-A1 | Heterocyclic lsf inhibitors and their uses | 20200124 |
WO-2021150835-A1 | Heterocyclic lsf inhibitors and their uses | 20200124 |
CN-110964010-A | Preparation method of minodronate intermediate | 20191129 |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.97351 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.97351 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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