CAS No.5810-18-4,11-CYANO-1-UNDECANOIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5810-18-4
Name:	11-CYANO-1-UNDECANOIC ACID
Article Data:	18

Formula:	C₁₂H₂₁NO₂
Molecular Weight:	211.304
Synonyms:	11-Cyanoundecanoicacid;NSC 59854;
EINECS:	227-373-4
Density:	0.984 g/cm³
Melting Point:	57 °C
Boiling Point:	381.7 °C at 760 mmHg
Flash Point:	184.7 °C
PSA:	61.09000
LogP:	3.49558

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Specification

This chemical is called Undecanoic acid, 11-cyano-, and its systematic name is 11-Cyanoundecanoic acid. With the molecular formula of C₁₂H₂₁NO₂, its molecular weight is 211.30. The CAS registry number of this chemical is 5810-18-4.

Other characteristics of the Undecanoic acid, 11-cyano- can be summarised as followings: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 11.83; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 121.13; (8)ACD/KOC (pH 7.4): 1.94; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 50.09 Å²; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 59.12 cm³; (15)Molar Volume: 214.6 cm³; (16)Polarizability: 23.43×10^-24cm³; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 0.984 g/cm³; (19)Flash Point: 184.7 °C; (20)Enthalpy of Vaporization: 69.18 kJ/mol; (21)Boiling Point: 381.7 °C at 760 mmHg; (22)Vapour Pressure: 6.94E-07 mmHg at 25°C.

Uses of this chemical: The 11-cyano-undecanoyl chloride could be obtained by the reactant of 11-cyano-undecanoic acid. This reaction needs the reagent of SOCl₂, and the solvent of benzene.

You can still convert the following datas into molecular structure:
1.SMILES: N#CCCCCCCCCCCC(=O)O
2.InChI: InChI=1/C12H21NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-10H2,(H,14,15)
3.InChIKey: YKHZGLKQBYTRHO-UHFFFAOYAW