Boron,trifluoro[1,1'-oxybis[butane]]-, (T-4)- (593-04-4)

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