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Basic Information
CAS No.: 353-30-0
Name: 1,12-Difluorododecane
Article Data: 4
Molecular Structure:
Molecular Structure of 353-30-0 (1,12-Difluorododecane)
Formula: C12H24F2
Molecular Weight: 206.319
Synonyms: BRN 1700201;
Density: 0.868 g/cm3
Boiling Point: 270.3 °C at 760 mmHg
Flash Point: 97 °C
PSA: 0.00000
LogP: 4.82640
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Specification

The Dodecane,1,12-difluoro-, with the CAS registry number 353-30-0, is also known as BRN 1700201. This chemical's molecular formula is C12H24F2 and molecular weight is 206.315766. Its IUPAC name is called 1,12-difluorododecane.

Physical properties of Dodecane,1,12-difluoro-: (1)ACD/LogP: 5.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.58; (4)ACD/LogD (pH 7.4): 5.58; (5)ACD/BCF (pH 5.5): 10216.41; (6)ACD/BCF (pH 7.4): 10216.41; (7)ACD/KOC (pH 5.5): 25789.63; (8)ACD/KOC (pH 7.4): 25789.63; (9)#Freely Rotating Bonds: 11; (10)Index of Refraction: 1.403; (11)Molar Refractivity: 57.97 cm3; (12)Molar Volume: 237.5 cm3; (13)Surface Tension: 24.5 dyne/cm; (14)Density: 0.868 g/cm3; (15)Flash Point: 97 °C; (16)Enthalpy of Vaporization: 48.8 kJ/mol; (17)Boiling Point: 270.3 °C at 760 mmHg; (18)Vapour Pressure: 0.0115 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CCCCCCF)CCCCCF
(2)InChI: InChI=1S/C12H24F2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2
(3)InChIKey: DSWRGYZVKIIDBW-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2550ug/kg (2.55mg/kg)   Journal of Organic Chemistry. Vol. 21, Pg. 748, 1956.