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| CAS No.: | 54223-20-0 |
|---|---|
| Name: | 1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone |
| Article Data: | 12 |
| Molecular Structure: | |
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|
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| Formula: | C9H6BrNOS |
| Molecular Weight: | 256.123 |
| Synonyms: | Ketone,2-benzothiazolyl bromomethyl (6CI);1-(1,3-Benzothiazol-2-yl)-2-bromoethanone;1-(Benzothiazol-2-yl)-2-bromoethanone;2-(Bromoacetyl)benzothiazole; |
| Density: | 1.696g/cm3 |
| Melting Point: | 86-87 oC |
| Boiling Point: | 347.7°Cat760mmHg |
| Flash Point: | 164.1°C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 36/37/38-34 |
| Safety: | 26-36/37/39 |
| PSA: | 58.20000 |
| LogP: | 2.87390 |
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Specification
The 1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone, its cas register number is 54223-20-0. It also can be called as Ethanone,1-(2-benzothiazolyl)-2-bromo- and the IUPAC name about this chemical is 1-(1,3-benzothiazol-2-yl)-2-bromoethanone. It belongs to the following product categories, such as Acetyl Halides, Thiazoles, Isothiazoles &Benzothiazoles, Acetyl Halides, Thiazoles, Isothiazoles & Benzothiazoles and so on.
Physical properties about 1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone are: (1)XLogP3: 3.1; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 2; (4)Tautomer Count: 2; (5)Exact Mass: 254.935347; (6)MonoIsotopic Mass: 254.935347; (7)Topological Polar Surface Area: 58.2; (8)Heavy Atom Count: 13; (9)Complexity: 212; (10)Covalently-Bonded Unit Count: 1
When you are using this chemical, you should be very cautious. Being a kind of irritant chemical, it is irritating to eyes, respiratory system and skin, also it can causes burns. When you are contacting with it, wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)C(=O)CBr
(2)InChI: InChI=1S/C9H6BrNOS/c10-5-7(12)9-11-6-3-1-2-4-8(6)13-9/h1-4H,5H2
(3)InChIKey: AYWGYNKWZWBMSV-UHFFFAOYSA-N