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CAS No.: | 1034-39-5 |
---|---|
Name: | TRIPHENYLPHOSPHINE DIBROMIDE |
Article Data: | 61 |
Molecular Structure: | |
Formula: | C18H15Br2P |
Molecular Weight: | 422.099 |
Synonyms: | NSC 87871;Triphenyldibromophosphorane;Triphenylphosphine dibromide; |
EINECS: | 213-855-1 |
Melting Point: | 235 °C (dec.)(lit.) |
Solubility: | Soluble in water, dichloromethane, acetonitrile, phenyl cyanide, dimethyl formamide, ether, chloroform, alcohol, carbon tetrachloride, acetic acid and carbon disulfide. Sparingly soluble in phenyl chloride, triphenylphosphine and phenyl hydride. Insoluble in aqueous bromine. |
Appearance: | light yellow to light pink crystalline powder |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 3261 8/PG 2 |
PSA: | 13.59000 |
LogP: | 5.13600 |
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The Phosphorane,dibromotriphenyl-, with the CAS registry number 1034-39-5, is also known as Triphenyldibromophosphorane. Its EINECS registry number is 213-855-1. This chemical's molecular formula is C18H15Br2P and molecular weight is 422.09. Its IUPAC name is called dibromo(triphenyl)-λ5-phosphane. This chemical is light yellow to light pink crystalline powder.
Physical properties of Phosphorane,dibromotriphenyl-: (1)XLogP3-AA: 6.5; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 0; (4)Rotatable Bond Count: 3; (5)Exact Mass: 421.925766; (6)MonoIsotopic Mass: 419.927812; (7)Topological Polar Surface Area: 0; (8)Heavy Atom Count: 21; (9)Formal Charge: 0; (10)Complexity: 285; (11)Covalently-Bonded Unit Count: 1.
Uses of Phosphorane,dibromotriphenyl-: it can be used to produce 3-phenyl-2-thioxo-1-triphenylphosphoranylidenamino-4-imidazolidinone by heating. This reaction will need reagent triethylamine and solvent benzene with reaction time of 16 hours. The yield is about 60%.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It may also cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)(C3=CC=CC=C3)(Br)Br
(2)InChI: InChI=1S/C18H15Br2P/c19-21(20,16-10-4-1-5-11-16,
(3)17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
(4)InChIKey: OCXGTPDKNBIOTF-UHFFFAOYSA-N