2,4-dichlorophenyl diethyl phosphate
- Iupac Name：(2,4-dichlorophenyl) diethyl phosphate
- CAS No.: 3279-62-7
- Molecular Weight：299.087581
- Modify Date.: 2022-11-26 17:04
1. Names and Identifiers
- 1.1 Name
- 2,4-dichlorophenyl diethyl phosphate
- 1.2 Synonyms
2,4-Dichlorphenyl-diethylphosphat BRN 2058227 Dichlofenthion oxon Dichlorofenoxon Diethyl 2,4-dichlorophenyl phosphate DTXSID40186453 Phenol, 2,4-dichloro-, O-ester with O,O-di-Et phosphorothioate Phosphate de 2,4-dichlorophényle et de diéthyle Phosphoric acid diethyl 2,4-dichlorophenyl ester phosphoric acid, 2,4-dichlorophenyl diethyl ester Phosphoric acid,2,4-dichlorophenyl diethyl ester
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- 1.3 CAS No.
- 3279-62-7
- 1.4 CID
- 201114
- 1.5 Molecular Formula
- C10H13Cl2O4P (isomer)
- 1.6 Inchi
- InChI=1S/C10H13Cl2O4P/c1-3-14-17(13,15-4-2)16-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3
- 1.7 InChIkey
- TVZVEGZSJDAAKQ-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CCOP(=O)(OCC)OC1=C(C=C(C=C1)Cl)Cl
- 1.9 Isomers Smiles
- CCOP(=O)(OCC)OC1=C(C=C(C=C1)Cl)Cl
2. Properties
- 2.1 Density
- 1.336
- 2.1 Boiling point
- 326.6°C at 760 mmHg
- 2.1 Refractive index
- 1.51
- 2.1 Flash Point
- 208.5°C
- 2.1 Precise Quality
- 297.99300
- 2.1 PSA
- 54.57000
- 2.1 logP
- 4.55330
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Synthesis Route
3279-62-7Total: 6 Synthesis Route
6. Computational chemical data
- Molecular Weight: 299.087581g/mol
- Molecular Formula: C10H13Cl2O4P
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 297.9928513
- Monoisotopic Mass: 297.9928513
- Complexity: 267
- Rotatable Bond Count: 6
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 44.8
- Heavy Atom Count: 17
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBwOAIGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIAACAACAagkCIyBoAAARCAQCBCAIACAAAgJUAIiAAGC4gIJiKBExKAMAAkwBEIiAeAQAAAACAAAACACAAAQAAAAQAQAAAAAAAAAA==
8. Realated Product Infomation
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