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CAS No.: | 684-19-5 |
---|---|
Name: | DI-T-BUTYLPHOSPHINE OXIDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H19OP |
Molecular Weight: | 162.212 |
Synonyms: | Phosphineoxide, di-tert-butyl- (7CI,8CI);Bis(tert-butyl)phosphine oxide;Di-tert-butylphosphine oxide;Di-tert-butyl(oxo)phosphonium; |
Melting Point: | 74-82°C |
Boiling Point: | 112 °C(Press: 9 Torr) |
Hazard Symbols: | F |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 40.54000 |
LogP: | 3.14310 |
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The Phosphine oxide,bis(1,1-dimethylethyl)-, with the CAS registry number 684-19-5, is also known as Bis(tert-butyl)phosphine oxide. This chemical's molecular formula is C8H19OP and molecular weight is 162.21. What's more, its systematic name is Di-tert-butyl(oxo)phosphonium.
Physical properties of Phosphine oxide,bis(1,1-dimethylethyl)- are: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 17.07 Å2; (5)Rotatable Bond Count: 2; (6)Topological Polar Surface Area: 17.1; (7)Heavy Atom Count: 10; (8)Formal Charge: 1; (9)Complexity: 120; (10)Covalently-Bonded Unit Count: 1; (11)Feature 3D Acceptor Count: 1; (12)Feature 3D Hydrophobe Count: 2; (13)Effective Rotor Count: 2; (14)Conformer Sampling RMSD: 0.4; (15)CID Conformer Count: 2.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)[P+](=O)C(C)(C)C
(2)InChI: InChI=1S/C8H18OP/c1-7(2,3)10(9)8(4,5)6/h1-6H3/q+1
(3)InChIKey: QQSIRURWBGEHFS-UHFFFAOYSA-N