Phosphonic acid, propyl-, dibutyl ester supplier

Name
DIBUTYL(1-PROPYL)PHOSPHONATE
EINECS
CAS No. 4628-12-0
Article Data5
CAS DataBase
Density 0.956 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₅O₃P
Boiling Point 300 °C at 760 mmHg
Molecular Weight 236.291
Flash Point 149.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phosphonicacid, propyl-, dibutyl ester (6CI,7CI,8CI,9CI);Dibutyl propylphosphonate;NSC222698;
PSA 45.34000
LogP 4.22290

Phosphonic acid, propyl-, dibutyl ester Specification

This chemical is called Phosphonic acid, propyl-, dibutyl ester, and its systematic name is Dibutyl propylphosphonate. With the molecular formula of C₁₁H₂₅O₃P, its molecular weight is 236.29. The CAS registry number of this chemical is 4628-12-0. Additionally, it should be sealed in the cool and dry environment.

Other characteristics of the Phosphonic acid, propyl-, dibutyl ester can be summarised as followings: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.47; (4)ACD/LogD (pH 7.4): 3.47; (5)ACD/BCF (pH 5.5): 257.08; (6)ACD/BCF (pH 7.4): 257.08; (7)ACD/KOC (pH 5.5): 1848.13; (8)ACD/KOC (pH 7.4): 1848.13; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 45.34 Å²; (13)Index of Refraction: 1.426; (14)Molar Refractivity: 63.37 cm³; (15)Molar Volume: 246.9 cm³; (16)Polarizability: 25.12×10^-24cm³; (17)Surface Tension: 30.6 dyne/cm; (18)Density: 0.956 g/cm³; (19)Flash Point: 149.1 °C; (20)Enthalpy of Vaporization: 51.85 kJ/mol; (21)Boiling Point: 300 °C at 760 mmHg; (22)Vapour Pressure: 0.00205 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=P(OCCCC)(OCCCC)CCC
2.InChI: InChI=1/C11H25O3P/c1-4-7-9-13-15(12,11-6-3)14-10-8-5-2/h4-11H2,1-3H3
3.InChIKey: XCUMIEFHVASVMQ-UHFFFAOYAM

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	18mg/kg (18mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03462,

Product Name

DIBUTYL(1-PROPYL)PHOSPHONATE

Phosphonic acid, propyl-, dibutyl ester Specification

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