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353-29-7

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Basic Information
CAS No.: 353-29-7
Name: 1-Bromo-12-fluorododecane
Molecular Structure:
Molecular Structure of 353-29-7 (1-Bromo-12-fluorododecane)
Formula: C12H24BrF
Molecular Weight: 267.2214
Synonyms: 1-bromo-12-fluoro-dodecane;12-Fluorododecyl bromide;Dodecane, 1-bromo-12-fluoro-;
Density: 1.089 g/cm3
Boiling Point: 302.4 °C at 760 mmHg
Flash Point: 140.5 °C
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Specification

The 1-Bromo-12-fluorododecane, with the CAS registry number 353-29-7, is also known as dodecane, 1-bromo-12-fluoro-. Its molecular formula is C12H24BrF and its molecular weight is 267.2214.

Other characteristics of the 1-Bromo-12-fluorododecane can be summarised as followings: (1)ACD/LogP: 6.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.22; (4)ACD/LogD (pH 7.4): 6.22; (5)ACD/BCF (pH 5.5): 31205.51; (6)ACD/BCF (pH 7.4): 31205.51; (7)ACD/KOC (pH 5.5): 57352.84; (8)ACD/KOC (pH 7.4): 57352.84; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.447; (13)Molar Refractivity: 65.53 cm3; (14)Molar Volume: 245.2 cm3; (15)Polarizability: 25.98×10-24cm3; (16)Surface Tension: 29.4 dyne/cm; (17)Density: 1.089 g/cm3; (18)Flash Point: 140.5 °C; (19)Enthalpy of Vaporization: 52.1 kJ/mol; (20)Boiling Point: 302.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00177 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: BrCCCCCCCCCCCCF
2.InChI: InChI=1/C12H24BrF/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2
3.InChIKey: ODTDDHSZGZDGLM-UHFFFAOYAM

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 16mg/kg (16mg/kg)   Journal of Organic Chemistry. Vol. 21, Pg. 748, 1956.