1-Bromo-6-fluoro-hexane supplier

Name
BRN 1697301
EINECS
CAS No. 373-28-4
Article Data11
CAS DataBase
Density 1.252 g/cm³
Solubility
Melting Point
Formula C₆H₁₂BrF
Boiling Point 179.8 °C at 760 mmHg
Molecular Weight 183.064
Flash Point 64.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Fluorohexyl bromide;Hexane, 1-bromo-6-fluoro-;
PSA 0.00000
LogP 2.91120

1-Bromo-6-fluoro-hexane Specification

The 1-Bromo-6-fluoro-hexane, with the CAS registry number 373-28-4, is also known as 6-Fluorohexyl bromide. This chemical's molecular formula is C₆H₁₂BrF and molecular weight is 183.06. What's more, its IUPAC name is 1-Bromo-6-fluorohexane. Its classification codes are: Drug/Therapeutic Agent.

Physical properties of 1-Bromo-6-fluoro-hexane are: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 117.84; (6)ACD/BCF (pH 7.4): 117.84; (7)ACD/KOC (pH 5.5): 1057.37; (8)ACD/KOC (pH 7.4): 1057.37; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 37.74 cm³; (15)Molar Volume: 146.2 cm³; (16)Polarizability: 14.96×10^-24 cm³; (17)Surface Tension: 26.7 dyne/cm; (18)Density: 1.252 g/cm³; (19)Flash Point: 64.9 °C; (20)Enthalpy of Vaporization: 39.9 kJ/mol; (21)Boiling Point: 179.8 °C at 760 mmHg; (22)Vapour Pressure: 1.25 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CCCBr)CCF
(2)InChI: InChI=1S/C6H12BrF/c7-5-3-1-2-4-6-8/h1-6H2
(3)InChIKey: CNCUKGDUDOASDV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	13mg/kg (13mg/kg)		Journal of Organic Chemistry. Vol. 21, Pg. 748, 1956.
mouse	LD50	subcutaneous	13mg/kg (13mg/kg)		Compilation of LD50 Values of New Drugs.

Product Name

BRN 1697301

1-Bromo-6-fluoro-hexane Specification

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