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| CAS No.: | 57018-46-9 |
|---|---|
| Name: | 4-AZIDOPHENACYL BROMIDE |
| Article Data: | 9 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6BrN3O |
| Molecular Weight: | 240.059 |
| Synonyms: | 4-Azidophenacyl bromide;1-(4-Azidophenyl)-2-bromoethan-1-one;4'-Azido-2-bromoacetophenone;1-(4-azidophenyl)-2-bromoethanone;p-Azidophenacyl bromide;AC1L3OIA;AC1Q1UFD;A6057_ALDRICH; |
| EINECS: | 260-519-5 |
| Melting Point: | 64-65 °C |
| Appearance: | Off-white crystalline solid |
| Hazard Symbols: |
 F, C
|
| Risk Codes: | 11-34-42/43 |
| Safety: | 16-26-27-36/37/39-45 |
| Transport Information: | UN 1325 4.1/PG 2 |
| PSA: | 66.82000 |
| LogP: | 2.65876 |
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- Total:12 Page 1 of 1 1
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Specification
The Ethanone,1-(4-azidophenyl)-2-bromo- with CAS registry number of 57018-46-9 is also known as 4-Azidophenacyl bromide. The IUPAC name is 1-(4-Azidophenyl)-2-bromoethanone. It belongs to product categories of Affinity Chromatography; Photoaffinity Labels. Its EINECS registry number is 260-519-5. In addition, the formula is C8H6BrN3O and the molecular weight is 240.06. This chemical is a off-white crystalline solid and should be sealed in cool place at the temperature of 4 °C.
Physical properties about Ethanone,1-(4-azidophenyl)-2-bromo- are: (1)ACD/LogP: 2.93; (2)ACD/LogD (pH 5.5): 2.93; (3)ACD/LogD (pH 7.4): 2.93; (4)ACD/BCF (pH 5.5): 99.64; (5)ACD/BCF (pH 7.4): 99.64; (6)ACD/KOC (pH 5.5): 937.78; (7)ACD/KOC (pH 7.4): 937.78; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 29.43Å2.
When you are using this chemical, please be cautious about it. As a chemical, it is highly flammable and may cause burns. It may cause sensitisation by inhalation and skin contact. During using it, wear suitable protective clothing, gloves and eye/face protection. Besides, keep away from sources of ignition. After using it, take off immediately all contaminated clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=CC=C1C(=O)CBr)N=[N+]=[N-]
2. InChI: InChI=1S/C8H6BrN3O/c9-5-8(13)6-1-3-7(4-2-6)11-12-10/h1-4H,5H2
3. InChIKey: LZJPDRANSVSGOR-UHFFFAOYSA-N