Benzoic acid,4-(diethoxyphosphinyl)- supplier

Name
DIETHYL(4-CARBOXYPHENYL)PHOSPHONATE
EINECS
CAS No. 1527-34-0
Article Data13
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point 105-107 °C
Formula C₁₁H₁₅O₅P
Boiling Point 382 °C at 760 mmHg
Molecular Weight 258.211
Flash Point 184.8 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoicacid, p-phosphono-, P,P-diethyl ester (7CI,8CI);Diethyl4-carboxyphenylphosphonate;
PSA 82.64000
LogP 2.27620

Benzoic acid,4-(diethoxyphosphinyl)- Specification

The Benzoic acid,4-(diethoxyphosphinyl)-, with the CAS registry number 1527-34-0, is also known as Diethyl 4-carboxyphenylphosphonate. This chemical's molecular formula is C₁₁H₁₅O₅P and molecular weight is 258.21. Its systematic name is called 4-(diethoxyphosphoryl)benzoic acid.

Physical properties of Benzoic acid,4-(diethoxyphosphinyl)-: (1)ACD/LogP: 1.69; (2)ACD/LogD (pH 5.5): -0.15; (3)ACD/LogD (pH 7.4): -1.37; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.84; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.514; (12)Molar Refractivity: 61.76 cm³; (13)Molar Volume: 204.8 cm³; (14)Surface Tension: 47 dyne/cm; (15)Density: 1.26 g/cm³; (16)Flash Point: 184.8 °C; (17)Enthalpy of Vaporization: 66.49 kJ/mol; (18)Boiling Point: 382 °C at 760 mmHg; (19)Vapour Pressure: 1.62E-06 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. It is irritating 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)c1ccc(cc1)C(=O)O
(2)InChI: InChI=1/C11H15O5P/c1-3-15-17(14,16-4-2)10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3,(H,12,13)
(3)InChIKey: RJRFVLZYAYSKHD-UHFFFAOYAM

Product Name

DIETHYL(4-CARBOXYPHENYL)PHOSPHONATE

Benzoic acid,4-(diethoxyphosphinyl)- Specification

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