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| CAS No.: | 72802-81-4 |
|---|---|
| Name: | BROMOFORM (13C) |
| Molecular Structure: | |
|
|
|
| Formula: | CHBr3 |
| Molecular Weight: | 253.72 |
| Synonyms: | Bromoform-13C(6CI);Tribromomethane-13C; |
| Density: | 2.974 g/cm3 |
| Melting Point: |
5-8 °C(lit.) |
| Boiling Point: |
146-150 °C(lit.) |
| Hazard Symbols: |
 T
|
| Risk Codes: | 23-36/38-51/53 |
| Safety: | 28-45-61-63 |
| Transport Information: | UN 2515 |
| PSA: | 0.00000 |
| LogP: | 2.45470 |
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Specification
This chemical is called Methane-13C, tribromo-(9CI), and its systematic name is Tribromomethane. With the molecular formula of 13CHBr3, its molecular weight is 253.74. The CAS registry number of this chemical is 72802-81-4.
Other characteristics of the Methane-13C, tribromo-(9CI) can be summarised as followings: (1)Index of Refraction: 1.619; (2)Molar Refractivity: 29.83 cm3; (3)Molar Volume: 84.9 cm3; (4)Polarizability: 11.82×10-24 cm3; (5)Surface Tension: 49.8 dyne/cm; (6)Density: 2.974 g/cm3.
Uses of this chemical: The Methane-13C, tribromo-(9CI) could react with 1,4,5,8-tetrahydro-naphthalene, and obtain the [11-13C]-11,11-Dibrom-tricyclo[4.4.1]undeca-3,8-dien. This reaction needs the reagent of t-BuOK, and the solvent of 2-methyl-propan-2-ol and pentane. The yield is 51 %. In addition, this reaction should be taken for 1 hour at the ambient temperature.
![The Methane-13C, tribromo-(9CI) could react with 1,4,5,8-tetrahydro-naphthalene, and obtain the [11-13C]-11,11-Dibrom-tricyclo[4.4.1]undeca-3,8-dien.](/UserFilesUpload/Use of the Methane-13C, tribromo-(9CI).jpg)
When you are using this chemical, please be cautious about it as the following: This chemical is toxic by inhalation and irritating to eyes and skin, please be careful when you use it. After being contacted with skin, wash immediately with plenty of soap-suds. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Moreover, this chemical is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment, please avoid releasing it to the environment. If you want to use it, you'd better refer to special instructions / safety data sheets.
You can still convert the following datas into molecular structure:
1.SMILES: C(Br)(Br)Br
2.InChI: InChI=1/CHBr3/c2-1(3)4/h1H/i1+1
3.InChIKey: DIKBFYAXUHHXCS-OUBTZVSYEC
4.Std. InChI: InChI=1S/CHBr3/c2-1(3)4/h1H/i1+1
5.Std. InChIKey: DIKBFYAXUHHXCS-OUBTZVSYSA-N