Boron trifluoride-butyl ether complex supplier

Name
Boron trifluoride-butyl ether complex
EINECS 209-783-5
CAS No. 593-04-4
Density 0.959 g/cm³
Solubility
Melting Point
Formula C₈H₁₈O^.BF₃
Boiling Point 142.1 °C at 760 mmHg
Molecular Weight 198.037
Flash Point 25 °C
Transport Information UN 3264
Appearance
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;
PSA 17.07000
LogP 3.48300

Boron trifluoride-butyl ether complex Specification

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

Product Name

Boron trifluoride-butyl ether complex

Boron trifluoride-butyl ether complex Specification

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