Triethyl 2-chloro-2-phosphonoacetate supplier

Name
Triethyl 2-chloro-2-phosphonoacetate
EINECS
CAS No. 7071-12-7
Article Data1
CAS DataBase
Density 1.21 g/cm³
Solubility
Melting Point
Formula C₈H₁₆ClO₅P
Boiling Point 93-95 °C (0.01 mmHg)
Molecular Weight 258.639
Flash Point >110 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Aceticacid, chloro(diethoxyphosphinyl)-, ethyl ester (9CI);Acetic acid,chlorophosphono-, triethyl ester (7CI,8CI);2-Chloro-2-phosphonoacetic acidtriethyl ester;Chloro(diethoxyphosphinyl)acetic acid ethyl ester;Ethyl2-chloro-2-(diethoxyphosphinyl)acetate;Ethyl chloro(diethylphosphono)acetate;Triethyl chlorophosphonoacetate;
PSA 71.64000
LogP 2.38050

Triethyl 2-chloro-2-phosphonoacetate Specification

The Triethyl 2-chloro-2-phosphonoacetate, with the cas registry number of 7071-12-7, is also known as Triethyl chlorophosphonoacetate and Triethyl 2-chloro-2-phosphonoacetate 97 %. It belongs to the product categories of C-C Bond Formation; Horner-Wadsworth-Emmons Reagents; Olefination. This chemical's molecular formula is C₈H₁₆ClO₅P and formula weight is 258.64. What's more, its systematic name is called Ethyl chloro(diethoxyphosphoryl)acetate.

Physical properties about this chemical are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 8.34; (6)ACD/BCF (pH 7.4): 8.34; (7)ACD/KOC (pH 5.5): 158.83; (8)ACD/KOC (pH 7.4): 158.83; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 71.64 Å²; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 56.05 cm³; (15)Molar Volume: 212.7 cm³; (16)Surface Tension: 36.3 dyne/cm; (17)Enthalpy of Vaporization: 54.79 kJ/mol; (18)Vapour Pressure: 0.00073 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and it irritates to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OCC)(OCC)C(Cl)C(=O)OCC
(2)InChI: InChI=1/C8H16ClO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h7H,4-6H2,1-3H3
(3)InChIKey: PCDXCIMROXIFBI-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H16ClO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h7H,4-6H2,1-3H3
(5)Std. InChIKey: PCDXCIMROXIFBI-UHFFFAOYSA-N

Product Name

Triethyl 2-chloro-2-phosphonoacetate

Triethyl 2-chloro-2-phosphonoacetate Specification

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