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| CAS No.: | 1078-58-6 |
|---|---|
| Name: | DIPHENYLZINC |
| Molecular Structure: | |
|
|
|
| Formula: | C12H10Zn |
| Molecular Weight: | 219.601 |
| Synonyms: | Diphenylzinc; |
| EINECS: | 214-082-2 |
| Melting Point: | 102-106 °C |
| Boiling Point: | 78.8 °C at 760 mmHg |
| Flash Point: | 280-285°C |
| Appearance: | white to light yellow crystalline powder. |
| Hazard Symbols: |
 T
|
| Risk Codes: | 45-46-37/38-41-48/20/21/22 |
| Safety: | 53-36/37-45 |
| Transport Information: | UN 3077 9 |
| PSA: | 0.00000 |
| LogP: | 2.97110 |
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Specification
The cas register number of Diphenylzinc is 1078-58-6. It also can be called as zinc, diphenyl- and the Systematic name about this chemical is zinc benzene.
Physical properties about Diphenylzinc are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.22; (4)ACD/LogD (pH 7.4): 2.22; (5)ACD/BCF (pH 5.5): 28.57; (6)ACD/BCF (pH 7.4): 28.57; (7)ACD/KOC (pH 5.5): 383.48; (8)ACD/KOC (pH 7.4): 383.48; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0Å2; (13)Enthalpy of Vaporization: 30.72 kJ/mol; (14)Boiling Point: 78.8 °C at 760 mmHg; (15)Vapour Pressure: 101 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It may be cause cancer and heritable genetic damage. It is irritating to respiratory system and skin. It is risk of serious damage to the eyes and danger of serious damage to health by prolonged exposure. It harmful by inhalation, in contact with skin and if swallowed. So it must avoid exposure - obtain special instructions before use. People must wear suitable protective clothing and gloves. 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: [Zn+2].[c-]1ccccc1.[c-]1ccccc1
2.InChI: InChI=1/2C6H5.Zn/c2*1-2-4-6-5-3-1;/h2*1-5H;/q2*-1;+2
3.InChIKey: BUNROVZNGITPIX-UHFFFAOYAS
4.Std. InChI: InChI=1S/2C6H5.Zn/c2*1-2-4-6-5-3-1;/h2*1-5H;/q2*-1;+2.