Basic information
- Name:
Ethanamine,N,N-diethyl-, hydrofluoride (1:3)
- Superlist Name:
- Triethylamine trihydrofluoride
- CAS No.:
73602-61-6
- Molecular Structure:
- Formula:
- C6H15N.3HF
- Molecular Weight:
- 161.21
- Deleted CAS:
- 439809-39-9
- Synonyms:
- Ethanamine,N,N-diethyl-, trihydrofluoride (9CI);Triethylamine trihydrofluoride;Triethylamine tris(hydrogen fluoride);
- EINECS:
- 277-550-5
- Melting Point:
- -29 - -27 °C
- Flash Point:
- 90.5 °C at 760 mmHg
- Solubility:
- completely soluble in water
- Appearance:
- clear yellow liquid
- Hazard Symbols:
T+,
C,
Xi- Risk Codes:
- 26/27/28-35
- Safety Description:
- 26-36/37/39-45-7/9 Details
- Transport Information:
- UN 3265 8/PG 2
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Specification
The Triethylamine trihydrofluoride, with the CAS registry number 73602-61-6, is also known as Triethylamine tris(hydrogen fluoride). It belongs to the product categories of Fluorinating Reagents; Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds; Fluorination; Halogenation; Nucleophilic Fluorinating Reagents; Synthetic Organic Chemistry. Its EINECS number is 277-550-5. This chemical's molecular formula is C6H15N.3HF and molecular weight is 161.21. What's more, its systematic name is N,N-Diethylethanamine trihydrofluoride. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from strong oxides, water and moisture.
Physical properties of Triethylamine trihydrofluoride are: (1)ACD/LogP: 1.657; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.44; (4)ACD/LogD (pH 7.4): -1.20; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å2; (13)Enthalpy of Vaporization: 31.01 kJ/mol; (14)Boiling Point: 90.5 °C at 760 mmHg; (15)Vapour Pressure: 56.1 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed, and it is very toxic by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. You should keep the container tightly closed and in a well-ventilated place. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: F.F.F.N(CC)(CC)CC
(2)Std. InChI: InChI=1S/C6H15N.3FH/c1-4-7(5-2)6-3;;;/h4-6H2,1-3H3;3*1H
(3)Std. InChIKey: IKGLACJFEHSFNN-UHFFFAOYSA-N