| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1125-30-0 |
| Catalog No. | 2A-9076344 |
| Chinese Name | 4-硝基-1,3,5-三甲基吡唑 |
| Synonyms | 1,3,5-trimethyl-4-nitropyrazole; 4-NITRO-1,3,5-TRIMETHYL-1H-PYRAZOLE |
| Molecular Formula | C6H9N3O2 |
| Molecular Weight | 138.17 |
| Density | 1.3g/cm3 |
| Boiling Point | 245.9ºC at 760mmHg |
| Appearance | solid |
| HTC | 2933199090 |
| PubChem ID | 329791337 |
| MDL Number | MFCD00159623 |
| SMILES | Cc1nn(C)c(C)c1C=O |
| InChI | 1S/C7H10N2O/c1-5-7(4-10)6(2)9(3)8-5/h4H,1-3H3 |
| InChI Key | HMTUBXVXHHITGO-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| MSDS | msds/76344_1_1125_30_0.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels, refrigerated. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular formula:C6H9N3O2 Molecular weight:155.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Pyrazole, 4-nitro-1,3,5-trimethyl- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C6-H9-N3-O2 MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - somnolence (general depressed activity) REFERENCE : FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 28,670,1965 Safety Information HS Code 2933199090 Synthetic Route 1,3-Dimethyl-4-... CAS#:3920-38-5 METHYLLITHIUM CAS#:917-54-4 1,3,5-Trimethyl... CAS#:1125-30-0 4H-Pyrazol-4-on... CAS#:193147-02-3 Literature: Tetrahedron, , vol. 53, # 25 p. 8585 - 8598 1,3,5-Trimethyl... CAS#:1072-91-9 1,3,5-Trimethyl... CAS#:1125-30-0 Literature: WARNER-LAMBERT COMPANY Patent: EP1203767 A1, 2002 ; Location in patent: Example 39 ; 3,5-Dimethyl-4-... CAS#:14531-55-6 1,3,5-Trimethyl... CAS#:1125-30-0 Literature: Chemische Berichte, , vol. 88, p. 1577,1583 Precursor & DownStream Precursor 10 CAS#:3920-38-5 1,3-Dimethyl-4-... CAS#:917-54-4 METHYLLITHIUM CAS#:1072-91-9 1,3,5-Trimethyl... CAS#:14531-55-6 3,5-Dimethyl-4-... DownStream 1 CAS#:28466-21-9 1,3,5-Trimethyl... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
| Related Products in Heterocyclic Building Blocks | ||
|---|---|---|
| Ethyl6-chloro-4-methylpyridine-2-carboxylate | 1122090-50-9 | 2A-9076334 |
| 1-Cbz-3-Aminoazetidine | 112257-20-2 | 2A-9076335 |
| Tert-butyl3-carbamoylpiperazine-1-carboxylate | 112257-24-6 | 2A-9076336 |
| 8-Bromoquinazoline | 1123169-41-4 | 2A-9076338 |
| 2-Hydroxy-5-acetylpyridine | 1124-29-4 | 2A-9076342 |
| Pyrrolo[1,2-a]pyrimidine-3-carboxylicacid | 112766-33-3 | 2A-9076347 |
| 5-(4-Chloro-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol | 113056-45-4 | 2A-9076349 |
| 3,5-Pyridazinediol | 17285-29-9 | 2A-9076352 |
| 4-(1-Hydroxy-1-Methylpropyl)-2-propyl-1H-Imidazole-5-carboxylicacidethylester | 172875-53-5 | 2A-9076353 |
| 5-Methoxy-1H-pyrrolo[3,2-B]pyridine | 17288-40-3 | 2A-9076354 |
| Browse all Heterocyclic Building Blocks products » | ||
Phone:
630-322-8886
630-322-8887
Email:
Office Locations:
Chicago, IL, USA
San Francisco, CA, USA
EN
SDS