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| CAS No.: | 67257-29-8 |
|---|---|
| Name: | Diethyl-3-chloro-2-oxopropyl phosphonate |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C7H14ClO4P |
| Molecular Weight: | 228.613 |
| Synonyms: | Phosphonicacid, (3-chloro-2-oxopropyl)-, diethyl ester (9CI);(3-Chloro-2-oxopropyl)phosphonic acid diethyl ester; |
| Density: | 1.206 g/cm3 |
| Melting Point: | 94-95 °C |
| Boiling Point: | 302.2 °C at 760 mmHg |
| Flash Point: | 176.9 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 62.41000 |
| LogP: | 2.06040 |
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- Total:3 Page 1 of 1 1
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Specification
The Diethyl-3-chloro-2-oxopropyl phosphonate, with the CAS registry number 67257-29-8, is also known as Phosphonicacid, P-(3-chloro-2-oxopropyl)-, diethyl ester. This chemical's molecular formula is C7H14ClO4P and molecular weight is 228.61. What's more, its systematic name is Diethyl (3-chloro-2-oxopropyl)phosphonate. Besides, this chemical must be kept in cold storage.
Physical properties about Diethyl-3-chloro-2-oxopropyl phosphonate are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 7.14; (6)ACD/BCF (pH 7.4): 7.14; (7)ACD/KOC (pH 5.5): 142.13; (8)ACD/KOC (pH 7.4): 142.13; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 62.41 Å2; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 49.72 cm3; (15)Molar Volume: 189.4 cm3; (16)Polarizability: 19.71×10-24 cm3; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.206 g/cm3; (19)Flash Point: 176.9 °C; (20)Enthalpy of Vaporization: 54.24 kJ/mol; (21)Boiling Point: 302.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00101 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=P(OCC)(OCC)CC(=O)CCl
(2) InChI: InChI=1/C7H14ClO4P/c1-3-11-13(10,12-4-2)6-7(9)5-8/h3-6H2,1-2H3
(3) InChIKey: MZMAAXZDJLJCDS-UHFFFAOYAX