Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate - CAS 40665-94-9
Catalog: |
BB043707 |
Product Name: |
Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate |
CAS: |
40665-94-9 |
Synonyms: |
DIMETHYL 3-(3-CHLOROPHENOXY)-2-OXOPROPYLPHOSPHONATE; Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate, 98 %; 3-(m-Chlorophenoxy)-2-oxopropylphosphonic acid dimethyl ester; [2-Oxo-3-(3-chloro-phenoxy)-propyl]-phosphonic |
IUPAC Name: | 1-(3-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one |
Description: | Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate (CAS# 40665-94-9 ) is a useful research chemical. |
Molecular Weight: | 292.65 |
Molecular Formula: | C11H14ClO5P |
Canonical SMILES: | COP(=O)(CC(=O)COC1=CC(=CC=C1)Cl)OC |
InChI: | InChI=1S/C11H14ClO5P/c1-15-18(14,16-2)8-10(13)7-17-11-5-3-4-9(12)6-11/h3-6H,7-8H2,1-2H3 |
InChI Key: | ZNPUZMPUXAFKQZ-UHFFFAOYSA-N |
Boiling Point: | 400.1 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.298 g/cm3 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.0267382 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.0267382 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 61.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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