Introduction：Basic information about CAS 16230-87-8|2-Methyl-4-nitro-1H-imidazole-1-acetic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Methyl-4-nitro-1H-imidazole-1-acetic acid |
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| CAS Number | 16230-87-8 | Molecular Weight | 185.13700 |
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| Density | 1.6g/cm3 | Boiling Point | 475.9ºC at 760mmHg |
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| Molecular Formula | C6H7N3O4 | Melting Point | / |
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| MSDS | / | Flash Point | 241.6ºC |
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Names
| Name | 2-(2-methyl-4-nitroimidazol-1-yl)acetic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.6g/cm3 |
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| Boiling Point | 475.9ºC at 760mmHg |
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| Molecular Formula | C6H7N3O4 |
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| Molecular Weight | 185.13700 |
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| Flash Point | 241.6ºC |
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| Exact Mass | 185.04400 |
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| PSA | 100.94000 |
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| LogP | 0.70750 |
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| Vapour Pressure | 7.28E-10mmHg at 25°C |
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| Index of Refraction | 1.646 |
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| InChIKey | NLTLZGISRLBDJI-UHFFFAOYSA-N |
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| SMILES | Cc1nc([N+](=O)[O-])cn1CC(=O)O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NI3380000
- CHEMICAL NAME :
- Imidazole-1-acetic acid, 2-methyl-4-nitro-
- CAS REGISTRY NUMBER :
- 16230-87-8
- BEILSTEIN REFERENCE NO. :
- 0615160
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C6-H7-N3-O4
- MOLECULAR WEIGHT :
- 185.16
- WISWESSER LINE NOTATION :
- T5N CNJ A1VQ B1 DNW
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Klebsiella pneumoniae
- DOSE/DURATION :
- 1 mmol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 86,243,1981
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Safety Information
Customs
| HS Code | 2933290090 |
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| Summary | 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 2-(2-methyl-4-nitroimidazolyl)acetic acid |
| 1-carboxymethyl-2-methyl-4-nitroimidazole |
| 1-Carboxymethyl-2-methyl-4-nitro-imidazol |
| (2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid |
| (2-methyl-4-nitro-imidazol-1-yl)-acetic acid |
| Imidazole-1-acetic acid,2-methyl-4-nitro |
| 2-Methyl-4-nitro-1-imidazolylessigsaure |
| 2-Methyl-4-nitroimidazole-1-acetic acid |
