Methyl 2,4-dibromobutyrate - CAS 70288-65-2
Catalog: |
BB034122 |
Product Name: |
Methyl 2,4-dibromobutyrate |
CAS: |
70288-65-2 |
Synonyms: |
methyl 2,4-dibromobutanoate |
IUPAC Name: | methyl 2,4-dibromobutanoate |
Description: | Methyl 2,4-dibromobutyrate (CAS# 70288-65-2 ) is a useful research chemical. |
Molecular Weight: | 259.92 |
Molecular Formula: | C5H8Br2O2 |
Canonical SMILES: | COC(=O)C(CCBr)Br |
InChI: | InChI=1S/C5H8Br2O2/c1-9-5(8)4(7)2-3-6/h4H,2-3H2,1H3 |
InChI Key: | DQHIGEQXJBMKKY-UHFFFAOYSA-N |
Boiling Point: | 236.9 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.84 g/cm3 |
Storage: | 2-8 °C |
MDL: | MFCD00130152 |
LogP: | 1.70790 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110963912-A | Method for preparing 2, 4-dibromo methyl butyrate by catalyzing bromosulfonic acid resin | 20191224 |
CN-110734428-A | small molecule compounds | 20191024 |
CN-110862376-A | Small molecule compound | 20191024 |
WO-2021078020-A1 | Small molecule compound | 20191024 |
WO-2021078021-A1 | Small molecular compound | 20191024 |
Complexity: | 95 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.88706 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.88910 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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