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| CAS No.: | 10383-90-1 |
|---|---|
| Name: | BENZALDEHYDE-CARBONYL-13C |
| Article Data: | 20 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H6O |
| Molecular Weight: | 107.113 |
| Synonyms: | Benzaldehyde-carbonyl-13C(8CI);Benzaldehyde-1'-13C;Benzaldehyde-α-13C;(Formyl-13C)benzaldehyde; |
| Density: | 1.049 g/cm3 |
| Melting Point: | -26 °C |
| Boiling Point: | 178-179 °C |
| Flash Point: | 145 °F |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38-40-42/43 |
| Safety: | 26-36 |
| PSA: | 17.07000 |
| LogP: | 1.49910 |
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Specification
The Benzaldehyde-formyl-13C, with the CAS registry number 10383-90-1, is also known as Benzaldehyde-α-13C. This chemical's molecular formula is C7H6O and molecular weight is 107.13. What's more, its systematic name is (formyl-13C)benzaldehyde. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxidants, bases and light.
Physical properties of Benzaldehyde-formyl-13C are: (1)Index of Refraction: 1.566; (2)Molar Refractivity: 33 cm3; (3)Molar Volume: 101 cm3; (4)Polarizability: 13.08× 10-24cm3; (5)Surface Tension: 38.8 dyne/cm; (6)Density: 1.049 g/cm3.
Preparation of Benzaldehyde-formyl-13C: this chemical can be prepared by phenyl-[13C]methanol at the temperature of 20 °C. This reaction will need reagents manganese dioxide, benzyl alcohol and solvent hexane. The yield is about 60%.
![Benzaldehyde-formyl-13C can be prepared by phenyl-[13C]methanol at the temperature of 20 °C.](/UserFilesUpload/Preparation of Benzaldehyde-formyl-13C.jpg)
Uses of Benzaldehyde-formyl-13C: it can be used to produce 2-hydroxy-1,2-diphenyl-[1,2-13C]ethanone at the temperature of 90 - 95 °C. It will need reagent NaCN and solvents ethanol, H2O with the reaction time of 0.5 hour. The yield is about 66%.
![Benzaldehyde-formyl-13C can be used to produce 2-hydroxy-1,2-diphenyl-[1,2-13C]ethanone at the temperature of 90 - 95 °C.](/UserFilesUpload/Uses of Benzaldehyde-formyl-13C.jpg)
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. It is irritating to eyes, respiratory system and skin. It has a limited evidence of a carcinogenic effect. It may cause sensitisation by inhalation and skin contact. 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.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)C=O
(2)InChI: InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H/i6+1
(3)InChIKey: HUMNYLRZRPPJDN-PTQBSOBMSA-N