Dodecane,1,12-difluoro- supplier

Name
1,12-Difluorododecane
EINECS
CAS No. 353-30-0
Article Data4
CAS DataBase
Density 0.868 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₄F₂
Boiling Point 270.3 °C at 760 mmHg
Molecular Weight 206.319
Flash Point 97 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms BRN 1700201;
PSA 0.00000
LogP 4.82640

Dodecane,1,12-difluoro- 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.

Product Name

1,12-Difluorododecane

Dodecane,1,12-difluoro- Specification

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