Ethyl 2,2-dibromodiethylphosphonoacetate - CAS 28845-75-2
Catalog: |
BB019989 |
Product Name: |
Ethyl 2,2-dibromodiethylphosphonoacetate |
CAS: |
28845-75-2 |
Synonyms: |
ethyl 2,2-dibromo-2-diethoxyphosphorylacetate |
IUPAC Name: | ethyl 2,2-dibromo-2-diethoxyphosphorylacetate |
Description: | Ethyl 2,2-Dibromodiethylphosphonoacetate acts as a reagent in the synthesis of dialkylphosphonodibromoacetates and dialkylphosphonodibromoacetonitriles as potential new biocides. |
Molecular Weight: | 381.98 |
Molecular Formula: | C8H15Br2O5P |
Canonical SMILES: | CCOC(=O)C(P(=O)(OCC)OCC)(Br)Br |
InChI: | InChI=1S/C8H15Br2O5P/c1-4-13-7(11)8(9,10)16(12,14-5-2)15-6-3/h4-6H2,1-3H3 |
InChI Key: | XKZDOIGWQFLTMZ-UHFFFAOYSA-N |
Appearance: | Liquid |
LogP: | 3.25920 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
DE-3830587-A1 | Method for inhibiting harmful microorganisms | 19880901 |
GB-2222368-A | Process for control of microorganisms with phosphorus-based compositions | 19880901 |
US-5025002-A | Process for control of microorganisms with phosphorus-based compositions | 19880901 |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 381.90034 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 379.90239 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 61.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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