CAS Number17380-18-6
SynonymsMFCD01719101; 5-Cyanoindole-3-carboxyaldehyde; INDOLE-5-CARBONITRILE,3-FORMYL; 5-cyano-3-formylindole; 3-Formyl-1 H-indole-5-carbonitrile; 3-Formyl-1H-indole-5-carbonitrile; 3-Formylindole-5-carbonitrile
Molecular FormulaC10H6N2O
Molecular Weight173.17
Purity97%
Density1.3±0.1 g/cm3
Boiling Point429.6±25.0 °C at 760 mmHg
Melting Point73-77 °C
Appearancesolid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 17380-18-6 |
| Catalog No. | 2A-9037471 |
| Chinese Name | 5-氰基吲哚-3-甲醛 |
| Synonyms | MFCD01719101; 5-Cyanoindole-3-carboxyaldehyde; INDOLE-5-CARBONITRILE,3-FORMYL; 5-cyano-3-formylindole; 3-Formyl-1 H-indole-5-carbonitrile; 3-Formyl-1H-indole-5-carbonitrile; 3-Formylindole-5-carbonitrile |
| Molecular Formula | C10H6N2O |
| Molecular Weight | 173.17 |
| Purity | 97 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 429.6±25.0 °C at 760 mmHg |
| Melting Point | 73-77 °C |
| Appearance | solid |
| Storage Condition | 2-8°C, inert gas atmosphere |
| HTC | 2933990090 |
| PubChem ID | 329763526 |
| MDL Number | MFCD09817543 |
| SMILES | O=Cc1cc(no1)-c2ccccc2 |
| InChI | 1S/C10H7NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-7H |
| InChI Key | SZXMDUKWIYIKKS-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| MSDS | msds/37471_1_17380_18_6.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 Appearance:Not specified Boiling point: Melting point:No data Flash point:No data Molecular formula: C10H6N2O Molecular weight: 170.2 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 : Indole-5-carbonitrile, 3-formyl- CAS REGISTRY NUMBER : 17380-18-6 BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C10-H6-N2-O MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T56 BMJ DVH GCN HEALTH HAZARD DATA ACUTE TOXICITY DATA 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#12038 Safety Information Signal Word Warning Hazard Statements H302-H312-H315-H317-H319-H332-H335 Precautionary Statements P261-P280-P305 + P351 + P338 Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves Hazard Codes Xn: Harmful;Xi: Irritant; RIDADR NONH for all modes of transport HS Code 2933990090 Synthetic Route Total: 1 Page 5-Cyanoindole CAS#:15861-24-2 3-Formyl-1H-ind... CAS#:17380-18-6 Literature: Pfizer Inc. Patent: US6180627 B2, 2001 ; US 6180627 B1 5-Cyanoindole CAS#:15861-24-2 N,N-Dimethylfor... CAS#:68-12-2 3-Formyl-1H-ind... CAS#:17380-18-6 Literature: Gregory, Alex W.; Jakubec, Pavol; Turner, Paul; Dixon, Darren J. Organic Letters, 2013 , vol. 15, # 17 p. 4330 - 4333 5-(Trifluoromet... CAS#:100846-24-0 CAS#:468717-17-1 3-Formyl-1H-ind... CAS#:17380-18-6 Precursor & DownStream Precursor 3 CAS#:15861-24-2 5-Cyanoindole CAS#:68-12-2 N,N-Dimethylfor... CAS#:100846-24-0 5-(Trifluoromet... DownStream 3 CAS#:914348-93-9 1-BOC-5-CYANO-3... CAS#:467451-64-5 3-(2-nitroethen... CAS#:468717-73-9 3-formyl-1-tosy... |
| 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% |
| Related Products in Heterocyclic Building Blocks | ||
|---|---|---|
| 2-Chloro-3-bromo-5-methylpyridine | 17282-03-0 | 2A-9037435 |
| 2-Amino-4-methyl-5-bromopyrimidine | 17321-93-6 | 2A-9037444 |
| 2-Amino-4-methylpyrimidine-5-carbonitrile | 17321-97-0 | 2A-9037445 |
| Methyl 4-imidazolecarboxylate | 17325-26-7 | 2A-9037446 |
| 6-Bromobenzo[b]thiophene | 17347-32-9 | 2A-9037457 |
| 3-Piperidin-4-yl-1H-indole | 17403-09-7 | 2A-9037478 |
| Ethyl 1H-imidazole-1-acetate | 17450-34-9 | 2A-9037493 |
| 2-Chloro-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde | 17481-62-8 | 2A-9037508 |
| 3-(Bromomethyl)-7-chloro benzo[b]thiophene | 17512-61-7 | 2A-9037514 |
| 5-Fluoro-3-methylbenzo[b]thiophene | 17514-63-5 | 2A-9037516 |
| 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