CAS No.38694-48-3,DIETHYLPHOSPHONOBUTANOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	38694-48-3
Name:	DIETHYLPHOSPHONOBUTANOIC ACID
Article Data:	9

Formula:	C₈H₁₇O₅P
Molecular Weight:	224.194
Synonyms:	DIETHYLPHOSPHONOBUTANOIC ACID;DIETHYL-(3-CARBOXYPROPYL)-PHOSPHONATE;4-(DIETHYLPHOSPHONO)BUTANOIC ACID;4-(Diethylphosphono)butanoic acid, 98 %
Density:	1.167 g/cm³
Melting Point:	62°C
Boiling Point:	358.7 °C at 760 mmHg
Flash Point:	170.7 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	82.64000
LogP:	2.11730

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Specification

The Butanoic acid, 4-(diethoxyphosphinyl)-, with CAS registry number 38694-48-3, has the systematic name of 4-(diethoxyphosphoryl)butanoic acid. Besides this, it is also called Diethylphosphonobutanoic acid. And the chemical formula of this chemical is C₈H₁₇O₅P.

Physical properties of Butanoic acid, 4-(diethoxyphosphinyl)-: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.63; (4)ACD/LogD (pH 7.4): -2.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.07; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 71.64 Å²; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 51.04 cm³; (15)Molar Volume: 192 cm³; (16)Polarizability: 20.23×10^-24cm³; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.167 g/cm³; (19)Flash Point: 170.7 °C; (20)Enthalpy of Vaporization: 66.38 kJ/mol; (21)Boiling Point: 358.7 °C at 760 mmHg; (22)Vapour Pressure: 4.07E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Butanoic acid, 4-(diethoxyphosphinyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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)CCCC(=O)O
(2)InChI: InChI=1/C8H17O5P/c1-3-12-14(11,13-4-2)7-5-6-8(9)10/h3-7H2,1-2H3,(H,9,10)
(3)InChIKey: LCHMQUIASGRBNV-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H17O5P/c1-3-12-14(11,13-4-2)7-5-6-8(9)10/h3-7H2,1-2H3,(H,9,10)
(5)Std. InChIKey: LCHMQUIASGRBNV-UHFFFAOYSA-N