Dimethyl octadecylphosphonate - CAS 25371-54-4
Catalog: |
BB043629 |
Product Name: |
Dimethyl octadecylphosphonate |
CAS: |
25371-54-4 |
Synonyms: |
1-Octadecylphosphonic acid dimethyl ester; Phosphonic acid, octadecyl-, dimethyl ester; Phosphonic acid, P-octadecyl-, dimethyl ester; Octadecylphosphonic acid dimethyl ester |
IUPAC Name: | 1-dimethoxyphosphoryloctadecane |
Molecular Weight: | 362.53 |
Molecular Formula: | C20H43O3P |
Canonical SMILES: | CCCCCCCCCCCCCCCCCCP(=O)(OC)OC |
InChI: | InChI=1S/C20H43O3P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22-2)23-3/h4-20H2,1-3H3 |
InChI Key: | FPYLHOQPWCQAIJ-UHFFFAOYSA-N |
Boiling Point: | 437.0±14.0°C at 760 mmHg |
Density: | 0.916±0.06 g/cm3 |
Appearance: | Liquid |
GHS Hazard Statement: | H335 (16.67%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H413 (90%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P261, P271, P273, P304+P340, P319, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 362.29498223 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 362.29498223 |
Rotatable Bond Count: | 19 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.3 |
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