| Chemical & Physical Properties | |
|---|---|
| CAS Number | 99-42-3 |
| Catalog No. | 2A-9018131 |
| Chinese Name | 3-硝基-4-羟基苯甲酸甲酯 |
| Synonyms | methyl 4-hydroxy-3-nitrobenzoate; MFCD00014695; EINECS 202-755-3 |
| Molecular Formula | C8H7NO5 |
| Molecular Weight | 167.16 |
| Purity | 98.00 |
| Density | 1.432 g/cm3 |
| Boiling Point | 311.1ºC at 760 mmHg |
| Melting Point | 74-76°C |
| Appearance | solid |
| Storage Condition | Store in a cool, dry and ventilated special explos |
| HTC | 2918290000 |
| PubChem ID | 329788730 |
| MDL Number | MFCD00017095 |
| SMILES | COC(=O)c1ccc(O)c(N)c1 |
| InChI | 1S/C8H9NO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,9H2,1H3 |
| InChI Key | VNQABZCSYCTZMS-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| MSDS | msds/18131_1_99_42_3.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage:Store in closed vessels. 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 Not specified Appearance: Boiling point:No data Melting point:No data Flash point:No data Molecular formula:C8H7NO5 Molecular weight:197.1 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 : Benzoic acid, 4-hydroxy-3-nitro-, methyl ester CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C8-H7-N-O5 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Gastrointestinal - ulceration or bleeding from stomach REFERENCE : EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0287-0657S TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0287-0657S Safety Information Hazard Codes Xi RTECS DH2528400 HS Code 2918290000 Synthetic Route CAS#:67-56-1 4-Hydroxy-3-nit... CAS#:616-82-0 Methyl 3-nitro-... CAS#:99-42-3 Literature: Nakamura, Hiroyuki; Yasui, Yuka; Ban, Hyun Seung Journal of Organometallic Chemistry, 2013 , vol. 747, p. 189 - 194 4-Hydroxy-3-nit... CAS#:616-82-0 SodiuM bicarbonate CAS#:144-55-8 Methyl 3-nitro-... CAS#:99-42-3 Literature: Yoshitomi Pharmaceuticals Industries, Ltd. Patent: US6080738 A1, 2000 ; US 6080738 A 4-Hydroxy-3-nit... CAS#:616-82-0 Methyl 3-nitro-... CAS#:99-42-3 Precursor & DownStream Precursor 7 CAS#:67-56-1 CAS#:616-82-0 4-Hydroxy-3-nit... CAS#:144-55-8 SodiuM bicarbonate CAS#:99-76-3 Methyl 4-hydrox... DownStream 10 CAS#:40258-72-8 methyl 3-bromo-... CAS#:260249-10-3 Methyl 3-amino-... CAS#:758684-29-6 Methyl 3,4-dihy... CAS#:536-25-4 Orthocaine |
| Tax Rebate | 9.0% |
| Supervision | A. Customs clearance form for inbound goods B. Customs clearance form for outbound goods |
| Inspection | R. Hygiene supervision and inspection of imported food S. Hygiene supervision and inspection of exported food |
| Transport Info | Product name: Supervision conditions A. Customs clearance form for inbound goods B. Customs clearance form for outbound goods |
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