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353-61-7

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Basic Information
CAS No.: 353-61-7
Name: TERT-BUTYL FLUORIDE
Article Data: 38
Molecular Structure:
Molecular Structure of 353-61-7 (TERT-BUTYL FLUORIDE)
Formula: C4H9F
Molecular Weight: 76.1139
Synonyms: 2-Fluoro-2-methylpropane;t-Butylfluoride;tert-Butyl fluoride;
EINECS: 206-538-4
Density: 0.76 g/cm3
Melting Point: -77°C
Boiling Point: 27 °C at 760 mmHg
PSA: 0.00000
LogP: 1.75440
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Specification

The Propane,2-fluoro-2-methyl-, with the CAS registry number 353-61-7, is also known as 2-Methyl-2-fluoropropane. Its EINECS number is 206-538-4. This chemical's molecular formula is C4H9F and molecular weight is 76.11. What's more, its IUPAC name is 2-Fluoro-2-methylpropane.

Physical properties of Propane,2-fluoro-2-methyl- are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 12.33; (6)ACD/BCF (pH 7.4): 12.33; (7)ACD/KOC (pH 5.5): 210.19; (8)ACD/KOC (pH 7.4): 210.19; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.335; (14)Molar Refractivity: 20.7 cm3; (15)Molar Volume: 100 cm3; (16)Polarizability: 8.21×10-24 cm3; (17)Surface Tension: 14.6 dyne/cm; (18)Density: 0.76 g/cm3; (19)Enthalpy of Vaporization: 26.17 kJ/mol; (20)Boiling Point: 27 °C at 760 mmHg; (21)Vapour Pressure: 708 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2-methyl-propan-2-ol with heating. This reaction will need reagent diethyl(trifluoromethyl)amine (DTA) with the reaction time of 15 minutes. The yield is about 70%.

Propane,2-fluoro-2-methyl- can be prepared by 2-methyl-propan-2-ol with heating.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)F
(2)InChI: InChI=1S/C4H9F/c1-4(2,3)5/h1-3H3
(3)InChIKey: GSMZLBOYBDRGBN-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC inhalation > 4720mg/m3/10 (4720mg/m3)   National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. NOV1942,