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| CAS No.: | 272-30-0 |
|---|---|
| Name: | Benzo[b]selenophene |
| Article Data: | 7 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6Se |
| Molecular Weight: | 181.096 |
| Synonyms: | Selenanaphthene;Selenonaphthen;Selenonaphthene;1-Benzoselenophene; |
| Melting Point: | 45-50 °C |
| Boiling Point: | 235.1 °C at 760 mmHg |
| Flash Point: | 96 °C |
| Hazard Symbols: |
 N, T
|
| Risk Codes: | 50/53-33-23/25 |
| Safety: | 61-60-45-28A-20/21 |
| PSA: | 0.00000 |
| LogP: | 1.89680 |
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Specification
This chemical is called Benzo[b]selenophene, and it can also be named as 1-Benzoselenophene. With the molecular formula of C8H6Se, its molecular weight is 181.09. The CAS registry number of this chemical is 272-30-0. Additionally, this chemical should be sealed in the cool and dry storeroom.
Other characteristics of the Benzo[b]selenophene can be summarised as follows: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 156.46; (6)ACD/BCF (pH 7.4): 156.46; (7)ACD/KOC (pH 5.5): 1295.27; (8)ACD/KOC (pH7.4):1295.27; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Flash Point: 96 °C; (14)Enthalpy of Vaporization: 45.27 kJ/mol; (15)Boiling Point: 235.1 °C at 760 mmHg; (16)Vapour Pressure: 0.078 mmHg at 25°C.
Production method of this chemical: The Benzo[b]selenophene could be obtained by the reactant of benzo[b]selenophen-2-yl-trimethyl-silane. This reaction needs the reagent of NaBH4, and the solvent of ethanol. The yield is 54 %. In addition, this reaction should be taken for 12 hours at the temperature of 80 °C.
![The Benzo[b]selenophene could be obtained by the reactant of benzo[b]selenophen-2-yl-trimethyl-silane.](/UserFilesUpload/Preparation of Benzo[b]selenophene.jpg)
Uses of this chemical: The Benzo[b]selenophene 1-oxide could be obtained by the reactant of benzo[b]selenophene. This reaction needs the reagent of dimethyldioxirane, and the solvent of acetone. The yield is 88 %. This reaction should be taken for 1 hour at the temperature of 0°C.
![The Benzo[b]selenophene 1-oxide could be obtained by the reactant of benzo[b]selenophene.](/UserFilesUpload/Uses of Benzo[b]selenophene.jpg)
When you are using this chemical, please be cautious about it as follows: When you use this chemical, do not eat, drink or smoke. Avoid releasing to the environment. Refer to special instructions safety data sheet. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible). This material and/or its container must be disposed of as hazardous waste. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).
You can still convert the following datas into molecular structure:
1.SMILES: [se]2c1ccccc1cc2
2.InChI: InChI=1/C8H6Se/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
3.InChIKey: BNRDGHFESOHOBF-UHFFFAOYAM