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| CAS No.: | 373-61-5 |
|---|---|
| Name: | Boron trifluoride-acetic acid complex |
| Article Data: | 20 |
| Molecular Structure: | |
|
|
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| Formula: | BF3.C4H8O4 |
| Molecular Weight: | 187.911 |
| Synonyms: | Aceticacid, compd. with BF3 (2:1) (6CI,7CI);Acetic acid, compd. with boron fluoride(BF3) (2:1) (8CI);Borate(1-), bis(acetato-O)difluoro-, dihydrogen fluoride,(T-4)-;Borane, trifluoro-, compd. with acetic acid (1:2);Boron fluoride(BF3), compd. with acetic acid (1:2) (8CI);Acetic acid, compd. withtrifluoroborane (2:1);Acetic acid-boron trifluoride complex (2:1);Borontrifluoride-acetic acid (1:2); |
| EINECS: | 206-768-5 |
| Density: | 1.353g/mLat 25°C(lit.) |
| Melting Point: | -47 °C |
| Boiling Point: | 117.1 °C at 760 mmHg |
| Flash Point: | 40 °C |
| Solubility: | reacts with water |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 22-35 |
| Safety: | 36/37/39-45-25 |
| Transport Information: | UN 1742 8 |
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Specification
The Boron trifluoride-acetic acid complex, with the CAS registry number 373-61-5 and EINECS registry number 206-768-5, has the systematic name of trifluoroborane - acetic acid (1:2). It belongs to the following product categories: Boron; Boron Synthetic Reagents; Catalysis and Inorganic Chemistry; Chemical Synthesis; Lewis Acids. And the molecular formula of the chemical is BF3.C4H8O4.
The characteristics of Boron trifluoride-acetic acid complex are as followings: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å2; (13)Flash Point: 40 °C; (14)Enthalpy of Vaporization: 23.7 kJ/mol; (15)Boiling Point: 117.1 °C at 760 mmHg; (16)Vapour Pressure: 13.9 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is harmful if swallowed, and may causes severe burns. Therefore, you had better take the following instructions: Avoid contact with eyes, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Wear suitable protective clothing, gloves and eye/face protection. What's more, if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FB(F)F.O=C(O)C.O=C(O)C
(2)InChI: InChI=1/2C2H4O2.BF3/c2*1-2(3)4;2-1(3)4/h2*1H3,(H,3,4)
(3)InChIKey: COTMJGCQSLZICX-UHFFFAOYAA