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374-99-2

Basic Information
CAS No.: 374-99-2
Name: 2,2,3,3,4,4,4-HEPTAFLUOROBUTYLAMINE
Article Data: 8
Molecular Structure:
Molecular Structure of 374-99-2 (2,2,3,3,4,4,4-HEPTAFLUOROBUTYLAMINE)
Formula: C4H4F7N
Molecular Weight: 199.071
Synonyms: Butylamine,2,2,3,3,4,4,4-heptafluoro- (6CI,7CI,8CI);2,2,3,3,4,4,4-Heptafluorobutylamine;
EINECS: 206-780-0
Density: 1.458 g/cm3
Boiling Point: 66.3 °C at 760 mmHg
Flash Point: 5.2 °C
Solubility: Soluble in water.
Appearance: clear colorless liquid
Hazard Symbols: CorrosiveC,IrritantXi
Risk Codes: 34
Safety: 45-36/37/39-26
PSA: 26.02000
LogP: 2.47830
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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.