CAS No.460-39-9,3,3,3-TRIFLUOROPROPYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	460-39-9
Name:	3,3,3-TRIFLUOROPROPYLAMINE
Article Data:	10

Formula:	C₃H₆F₃N
Molecular Weight:	113.083
Synonyms:	Propylamine,3,3,3-trifluoro- (7CI,8CI);3,3,3-Trifluoro-1-propanamine;3,3,3-Trifluoropropylamine;
Density:	1.152g/cm³
Boiling Point:	30.6 °C at 760 mmHg
Hazard Symbols:	C
Risk Codes:	41
Safety:	26-39
PSA:	26.02000
LogP:	1.59780

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Specification

The 3,3,3-Trifluoropropylamine with the cas number 460-39-9 is also called 1-Propanamine,3,3,3-trifluoro-. Both the systematic name and IUPAC name are 3,3,3-trifluoropropan-1-amine. Its molecular formula is C₃H₆F₃N. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.03; (4)ACD/LogD (pH 7.4): -0.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 6.49; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.328; (14)Molar Refractivity: 19.93 cm³; (15)Molar Volume: 98.1 cm³; (16)Polarizability: 7.9×10^-24cm³; (17)Surface Tension: 18.7 dyne/cm; (18)Enthalpy of Vaporization: 27.62 kJ/mol; (19)Vapour Pressure: 616 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)CCN
(2)InChI: InChI=1/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2
(3)InChIKey: NGZVNONVXYLYQW-UHFFFAOYAB

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	600mg/m³ (600mg/m³)	SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 14(11), Pg. 59, 1970.
mouse	LD50	oral	29mg/kg (29mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 116, 1982.