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Phosphonium,tetrabutyl-, chloride (1:1) (2304-30-5)

Identification
Name:Phosphonium,tetrabutyl-, chloride (1:1)
Synonyms:Phosphonium,tetrabutyl-, chloride (8CI,9CI);Tetrabutylphosphonium chloride (7CI);Cyphos443P;Cyphos 443T;Cyphos IL 164;Hishicolin PX 4C;Tetra-n-butylphosphoniumchloride;
CAS:2304-30-5
EINECS: 218-964-8
Molecular Formula: C16H36ClP
Molecular Weight: 339.334801
InChI: InChI=1S/C16H36P.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
Molecular Structure: (C16H36ClP) Phosphonium,tetrabutyl-, chloride (8CI,9CI);Tetrabutylphosphonium chloride (7CI);Cyphos443P;Cyphos 4...
Properties
Transport:HAZARD
Flash Point: °C
Density:g/cm3
Water Solubility:Soluble
Solubility:Soluble
Appearance:clear to yellowish liquid
Specification:

The IUPAC name of Tetra-N-butylphosphonium chloride is tetrabutylphosphanium chloride. With the CAS registry number 2304-30-5, it is also named as Phosphonium, tetrabutyl-, chloride. The product's product categories are Phosphonium Salts; Phosphonium Compounds; Greener Alternatives: Catalysis; Phase Transfer Catalysts; Phosphonium Salts. Besides, it is clear to yellowish liquid.

The other characteristics of this product can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 12; (4)Exact Mass: 294.224315; (5)MonoIsotopic Mass: 294.224315; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 18; (8)Complexity: 116; (9)Melting Point: 62-66 °C; (10)EINECS: 218-964-8.

Uses of Tetra-N-butylphosphonium chloride: it can be used for producing C16H36P(1+)*2FH*F(1-).



This reaction needs aq. KHF2 and CH2Cl2 at ambient temperature for 30 min. The yield is 100 %.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed and toxic in contact with skin. It also may cause burns. Please wear suitable protective clothing, gloves and eye/face protection when use it. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES:[Cl-].CCCC[P+](CCCC)(CCCC)CCCC
(2)InChI:InChI=1/C16H36P.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
(3)InChIKey:IBWGNZVCJVLSHB-REWHXWOFAC
(4)Std. InChI:InChI=1S/C16H36P.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
(5)Std. InChIKey:IBWGNZVCJVLSHB-UHFFFAOYSA-M

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03140,
rabbit LD50 oral 325mg/kg (325mg/kg)   Toxicology. Vol. 24, Pg. 245, 1982.
rabbit LD50 skin 121mg/kg (121mg/kg)   Office of Toxic Substances Report. Vol. FYI-OTS-1178-0020,
rat LC50 inhalation > 3mg/m3/1H (3mg/m3)   Toxicology. Vol. 24, Pg. 245, 1982.
rat LD50 oral 916mg/kg (916mg/kg)   Toxicology. Vol. 24, Pg. 245, 1982.

Packinggroup: II
Flash Point: °C
Safety Data