| Chemical & Physical Properties | |
|---|---|
| CAS Number | 25514-67-4 |
| Catalog No. | 2A-9039751 |
| Chinese Name | 5-氰基芦竹碱 |
| Synonyms | 5-cyanogramine |
| Molecular Formula | C12H13N3 |
| Molecular Weight | 199.25200 |
| Purity | 98.00 |
| Density | 1.17g/cm3 |
| Boiling Point | 368.2ºC at 760mmHg |
| Storage Condition | 2-8°C |
| HTC | 2933990090 |
| SMILES | CN(C)Cc1c[nH]c2ccc(C#N)cc12 |
| InChI | InChI=1S/C12H13N3/c1-15(2)8-10-7-14-12-4-3-9(6-13)5-11(10)12/h3-5,7,14H,8H2,1-2H3 |
| InChI Key | JOPBIDDQPQFQHZ-UHFFFAOYSA-N |
| 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:C12H13N3 Molecular weight:199.3 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 : Indole-5-carbonitrile, 3-(dimethylaminomethyl)- CAS REGISTRY NUMBER : 25514-67-4 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C12-H13-N3 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T56 BMJ D1N1&1 GCN 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 : 14300 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PSYPAG Psychopharmacologia (Berlin). (Berlin, Ger.) V.1-46, 1959-76. For publisher information, see PSCHDL. Volume(issue)/page/year: 16,385,1970 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#12041 Safety Information HS Code 2933990090 Synthetic Route Total: 1 Page 5-Cyanoindole CAS#:15861-24-2 Formaldehyde CAS#:50-00-0 Dimethylamine CAS#:124-40-3 N-[(4-AMINO-3-M... CAS#:25514-67-4 N,N-Dimethylmet... CAS#:30354-18-8 1-Diethoxymethy... CAS#:261177-22-4 N-[(4-AMINO-3-M... CAS#:25514-67-4 Literature: Synlett, , # 1 p. 125 - 127 5-Cyanoindole CAS#:15861-24-2 N-[(4-AMINO-3-M... CAS#:25514-67-4 Literature: Synlett, , # 1 p. 125 - 127 Precursor & DownStream Precursor 4 CAS#:15861-24-2 5-Cyanoindole CAS#:50-00-0 Formaldehyde CAS#:124-40-3 Dimethylamine CAS#:30354-18-8 N,N-Dimethylmet... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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