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| CAS No.: | 460-39-9 |
|---|---|
| Name: | 3,3,3-TRIFLUOROPROPYLAMINE |
| Molecular Structure: | |
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|
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| 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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- Total:37 Page 1 of 1 1
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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. |