Identifiers & Physical Properties
| CAS No. | 177550-41-3 |
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| Molecular formula | C7H8ClNO |
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| Average molar mass | 157.6 g/mol |
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| Monoisotopic mass | 157.0294416 g/mol |
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| SMILES | Cn1ccc(CCl)cc1=O |
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| InChIKey | QBJRHHYKYWPOEL-UHFFFAOYSA-N |
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| PubChem CID | 39871007 |
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| EC No. | 841-187-6 |
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Chemical & Physical Properties
| XLogP | 0.3 |
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| Topological polar surface area | 20.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 10 |
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| Formal charge | 0 |
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| Complexity | 208 |
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Safety & Regulations
| GHS classification | DangerH303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 5 (100%)Skin Irrit. 2 (100%)Eye Dam. 1 (100%)STOT SE 3 (100%) |
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