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1-Butanamine,2,2,3,3,4,4,4-heptafluoro-

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Name

1-Butanamine,2,2,3,3,4,4,4-heptafluoro-

EINECS 206-780-0
CAS No. 374-99-2 Density 1.458 g/cm3
PSA 26.02000 LogP 2.47830
Solubility Soluble in water. Melting Point N/A
Formula C4H4F7N Boiling Point 66.3 °C at 760 mmHg
Molecular Weight 199.071 Flash Point 5.2 °C
Transport Information N/A Appearance clear colorless liquid
Safety 45-36/37/39-26 Risk Codes 34
Molecular Structure Molecular Structure of 374-99-2 (2,2,3,3,4,4,4-HEPTAFLUOROBUTYLAMINE) Hazard Symbols CorrosiveC,IrritantXi
Synonyms

Butylamine,2,2,3,3,4,4,4-heptafluoro- (6CI,7CI,8CI);2,2,3,3,4,4,4-Heptafluorobutylamine;

Article Data 8

1-Butanamine,2,2,3,3,4,4,4-heptafluoro- Specification

The 1-Butanamine,2,2,3,3,4,4,4-heptafluoro-, with the CAS registry number 374-99-2, is also known as Butylamine, 2,2,3,3,4,4,4-heptafluoro-. Its EINECS registry number is 206-780-0. This chemical's molecular formula is C4H4F7N and molecular weight is 199.07. What's more, both its IUPAC name and systematic name are the same which is called 2,2,3,3,4,4,4-Heptafluorobutan-1-amine.

Physical properties about 1-Butanamine,2,2,3,3,4,4,4-heptafluoro- are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 11.65; (6)ACD/BCF (pH 7.4): 38.68; (7)ACD/KOC (pH 5.5): 142.26; (8)ACD/KOC (pH 7.4): 472.27; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.295; (14)Molar Refractivity: 25.15 cm3; (15)Molar Volume: 136.5 cm3; (16)Surface Tension: 15.7 dyne/cm; (17)Density: 1.458 g/cm3; (18)Flash Point: 5.2 °C; (19)Enthalpy of Vaporization: 30.82 kJ/mol; (20)Boiling Point: 66.3 °C at 760 mmHg; (21)Vapour Pressure: 153 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(C(F)(F)F)C(F)(F)CN
(2) InChI: InChI=1/C4H4F7N/c5-2(6,1-12)3(7,8)4(9,10)11/h1,12H2
(3) InChIKey: WBGBQSRNXPVFDB-UHFFFAOYAZ

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 10mg/kg (10mg/kg)   "Fluorine Chemistry, Volume III. Biological Effects of Organic Fluorides," Simons, J.H., ed., New York, Academic Press, Inc., 1963Vol. 3, Pg. 77, 1963.

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