Basic Information | Post buying leads | Suppliers |
Name |
Boron trifluoride-butyl ether complex |
EINECS | 209-783-5 |
CAS No. | 593-04-4 | Density | 0.959 g/cm3 |
PSA | 17.07000 | LogP | 3.48300 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H18O.BF3 | Boiling Point | 142.1 °C at 760 mmHg |
Molecular Weight | 198.037 | Flash Point | 25 °C |
Transport Information | UN 3264 | Appearance | N/A |
Safety | 26-27-36/37/39-45 | Risk Codes | 23/24/25-34 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
Borane,trifluoro-, compd. with 1,1'-oxybis[butane] (1:1);Butyl ether, compd. with BF3(6CI);Butyl ether, compd. with boron fluoride (BF3) (1:1) (8CI);Boronfluoride (BF3), compd. with butyl ether (1:1) (8CI);Butane, 1,1'-oxybis-,boron complex;Butane, 1,1'-oxybis-, compd. with trifluoroborane (1:1);Boronfluoride (BF3) dibutyl etherate;Boron fluoride dibutyl etherate;Borontrifluoride butyl ether;Boron trifluoride butyl ether complex (1:1);Borontrifluoride butyl etherate;Boron trifluoride dibutyl etherate;Borontrifluoride-dibutyl ether;Boron trifluoride-dibutyl ether complex (1:1);Dibutyl ether-boron trifluoride;Trifluoroboron dibutyl etherate; |
The Boron trifluoride-butyl ether complex, with the cas registry number 593-04-4 and EINECS registry number 209-783-5, has the systematic name and IUPAC name of 1-butoxybutane - trifluoroborane. It belongs to the following product categories: B (Classes of Boron Compounds); Boron Trifluorides; Boron Trihalides; Boron; BoronSynthetic Reagents; Catalysis and Inorganic Chemistry; Chemical Synthesis; Lewis Acids. And the molecular formula of the chemical is C8H18O.BF3.
The characteristics of this chemical are as followings: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 135.23; (6)ACD/BCF (pH 7.4): 135.23; (7)ACD/KOC (pH 5.5): 1166.88; (8)ACD/KOC (pH 7.4): 1166.88; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å2; (13)Flash Point: 25 °C; (14)Enthalpy of Vaporization: 36.36 kJ/mol; (15)Boiling Point: 142.1 °C at 760 mmHg; (16)Vapour Pressure: 7.1 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is toxic by inhalation, in contact with skin and if swallowed, and may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Take off immediately all contaminated clothing; 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(CCCC)CCCC
(2)InChI: InChI=1/C8H18O.BF3/c1-3-5-7-9-8-6-4-2;2-1(3)4/h3-8H2,1-2H3
(3)InChIKey: PVKVBDZRILNPJY-UHFFFAOYAC