CAS No.4721-17-9,N-HEXADECYLPHOSPHONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4721-17-9
Name:	N-HEXADECYLPHOSPHONIC ACID
Article Data:	8

Formula:	C₁₆H₃₅O₃P
Molecular Weight:	306.426
Synonyms:	Phosphonicacid, hexadecyl- (7CI,8CI,9CI);1-Hexadecanephosphonic acid;Hexadecanephosphonic acid;Hexadecylphosphonic acid;n-Hexadecylphosphonic acid;diethyl ({[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}methylidene)propanedioate;
Density:	1.246 g/cm³
Melting Point:	96-99°C
Boiling Point:	467.5 °C at 760 mmHg
Flash Point:	236.6 °C
PSA:	67.34000
LogP:	5.64540

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Specification

The Phosphonic acid,p-hexadecyl-, with the CAS registry number 4721-17-9, is also known as N-hexadecylphosphonic acid. This chemical's molecular formula is C₁₆H₃₅O₃P and molecular weight is 306.42. What's more, its systematic name is diethyl ({[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}methylidene)propanedioate. It should be sealed and stored in cool and dry places.

Physical properties of Phosphonic acid,p-hexadecyl- are: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.78; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 442.48; (6)ACD/BCF (pH 7.4): 445.37; (7)ACD/KOC (pH 5.5): 2720.94; (8)ACD/KOC (pH 7.4): 2738.74; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 96.97 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 97.63 cm³; (15)Molar Volume: 289 cm³; (16)Polarizability: 38.7×10^-24 cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.246 g/cm³; (19)Flash Point: 236.6 °C; (20)Enthalpy of Vaporization: 72.95 kJ/mol; (21)Boiling Point: 467.5 °C at 760 mmHg; (22)Vapour Pressure: 6.46E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OCC)C(/C(=O)OCC)=C\Nc1nc(cs1)c2ccc(cc2)C
(2)InChI: InChI=1/C18H20N2O4S/c1-4-23-16(21)14(17(22)24-5-2)10-19-18-20-15(11-25-18)13-8-6-12(3)7-9-13/h6-11H,4-5H2,1-3H3,(H,19,20)
(3)InChIKey: GSMRMOCCGZENCI-UHFFFAOYAY