CAS No.116754-58-6,13-Bromo-1-tridecanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	116754-58-6
Name:	13-Bromo-1-tridecanol
Article Data:	20

Formula:	C₁₃H₂₇BrO
Molecular Weight:	279.261
Synonyms:	13-Bromo-1-tridecanol;
Density:	1.1g/cm³
Melting Point:	59 °C
Boiling Point:	338°C at 760mmHg
Flash Point:	128.8°C
PSA:	20.23000
LogP:	4.66470

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Specification

The cas register number of 13-Bromo-1-tridecanol is 116754-58-6. It also can be called as 1-Tridecanol, 13-bromo- and the Systematic name about this chemical is 13-bromotridecan-1-ol.

(1)ACD/LogP: 5.52 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 5.52 ; (4)ACD/LogD (pH 7.4): 5.52 ; (5)ACD/BCF (pH 5.5): 9207.44; (6)ACD/BCF (pH 7.4): 9207.44; (7)ACD/KOC (pH 5.5): 23939.79; (8)ACD/KOC (pH 7.4): 23939.79; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 71.54 cm³; (15)Molar Volume: 253.8 cm³; (16)Surface Tension: 35.1 dyne/cm; (17)Density: 1.1 g/cm³; (18)Flash Point: 128.8 °C; (19)Enthalpy of Vaporization: 67.34 kJ/mol; (20)Boiling Point: 338 °C at 760 mmHg; (21)Vapour Pressure: 6.87E-06 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: BrCCCCCCCCCCCCCO
2.InChI: InChI=1/C13H27BrO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h15H,1-13H2
3.InChIKey: FJBCXJNCEVECEC-UHFFFAOYAW
4.Std. InChI: InChI=1S/C13H27BrO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h15H,1-13H2.