Introduction：Basic information about CAS 123000-45-3|(1S-(1B,2A,3B))-(+)-3-ME-2-(NITROMETHYL&, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (1S-(1B,2A,3B))-(+)-3-ME-2-(NITROMETHYL& |
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| CAS Number | 123000-45-3 | Molecular Weight | 215.20300 |
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| Density | 1.256g/cm3 | Boiling Point | 433.1ºC at 760 mmHg |
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| Molecular Formula | C9H13NO5 | Melting Point | 58-62ºC(lit.) |
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| MSDS | ChineseUSA | Flash Point | 190.6ºC |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.256g/cm3 |
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| Boiling Point | 433.1ºC at 760 mmHg |
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| Melting Point | 58-62ºC(lit.) |
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| Molecular Formula | C9H13NO5 |
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| Molecular Weight | 215.20300 |
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| Flash Point | 190.6ºC |
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| Exact Mass | 215.07900 |
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| PSA | 100.19000 |
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| LogP | 1.10230 |
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| Vapour Pressure | 1.03E-08mmHg at 25°C |
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| Index of Refraction | 1.489 |
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| InChIKey | YPCIKCQPODDZAT-LYFYHCNISA-N |
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| SMILES | CC1CC(=O)C(CC(=O)O)C1C[N+](=O)[O-] |
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
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| Hazard Codes | Xi |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26 |
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| RIDADR | NONH for all modes of transport |
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Synonyms
| [1S-(1|A,2|A,3|A)]-(+)-3-Methyl-2-(nitromethyl)-5-oxocyclopentaneacetic acid |
| [1S-(1beta,2alpha,3beta)]-(+)-3-Methyl-2-(nitromethyl)-5-oxocyclopentaneacetic acid |
