17380-18-6

• 常用中文名：5-氰基吲哚-3-甲醛
• 常用英文名：3-Formyl-1H-indole-5-carbonitrile
• CAS号：17380-18-6
• 分子式：C₁₀H₆N₂O
• 分子量：170.167
• 发布时间：2018-07-08 19:33:38
• 更新时间：2024-01-08 11:02:05
• 下载msds

名称

• 中文名: 5-氰基吲哚-3-甲醛
• 英文名: 3-formyl-1H-indole-5-carbonitrile
• 中文别名: 5-氰基-3-吲哚甲醛; 3-醛基-1H-吲哚-5-氰基
• 英文别名: MFCD01719101; 1H-Indole-5-carbonitrile, 3-formyl-; 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

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 429.6±25.0 °C at 760 mmHg
• 熔点: 248-253ºC
• 分子式: C₁₀H₆N₂O
• 分子量: 170.167
• 闪点: 213.6±23.2 °C
• 精确质量: 170.048019
• PSA: 56.65000
• LogP: 1.90
• 外观性状: 白色至灰白色结晶粉末
• 蒸汽压: 0.0±1.0 mmHg at 25°C
• 折射率: 1.674
• 储存条件: 2-8°C，惰性气体氛围

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: 3-Formyl-1H-indole-5-carbonitrile Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H302:Harmful if swallowed H312:Harmful in contact with skin H315:Causes skin irritation H317:May cause an allergic skin reaction H319:Causes serious eye irritation H332:Harmful if inhaled H335:May cause respiratory irritation P261:Avoid breathing dust/fume/gas/mist/vapours/spray Wear protective gloves/protective clothing/eye protection/face protection P280: P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing Section3. Composition/information on ingredients. Ingredient name:3-Formyl-1H-indole-5-carbonitrile CAS number:17380-18-6 Section4. First aid measures Immediately wash skin with copious amounts of water for at least 15 minutes while removing Skin contact: contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, 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 No data Boiling point: Melting point:No data Flash point:No data Density: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 No data. Section12. Ecological information No data. 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 N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : NL5993360 CHEMICAL NAME : Indole-5-carbonitrile, 3-formyl- CAS REGISTRY NUMBER : 17380-18-6 BEILSTEIN REFERENCE NO. : 0389069 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C10-H6-N2-O MOLECULAR WEIGHT : 170.18 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 : 79 mg/kg 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

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302-H312-H315-H317-H319-H332-H335
• 警示性声明: P261-P280-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Faceshields;Gloves
• 危害码 (欧洲): Xn: Harmful;Xi: Irritant;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): 26-36/37
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2933990090

合成路线

15861-24-2 ~86% 17380-18-6

文献：Pfizer Inc. Patent: US6180627 B2, 2001 ; US 6180627 B1

15861-24-2 68-12-2 ~97% 17380-18-6

文献：Gregory, Alex W.; Jakubec, Pavol; Turner, Paul; Dixon, Darren J. Organic Letters, 2013 , vol. 15, # 17 p. 4330 - 4333

100846-24-0 ~% 468717-17-1 17380-18-6

文献：US2003/73849 A1, ; US 20030073849 A1

上下游产品

上游产品  3
15861-24-2 68-12-2 100846-24-0
下游产品  3
914348-93-9 467451-64-5 468717-73-9

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
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%