2-Methylpropyl Isothiocyanate 异硫氰酸异丁酯
CAS 591-82-2 MFCD00022062
化学结构图
SMILES: CC(C)CN=C=S
化学属性
| Mol. Formula | C5H9NS |
|---|---|
| Mol. Weight | 115.19 g/mol |
| Density | 0.95 |
| Refractive index | 1.4920 to 1.4970 |
| Flash Point | 24°C(lit.) |
| TSCA | No |
| Boiling Point | 164 |
别名和识别编码
| Chemical Name | 2-Methylpropyl Isothiocyanate |
|---|---|
| Synonym | 1-Isothiocyanato-2-methylpropane ISOTHIOCYANIC ACID ISOBUTYL ESTER Isobutyl Isothiocyanate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} |
| MDL Number | MFCD00022062 |
| CAS Number | 591-82-2 |
| EC Number | 209-733-2 |
| Beilstein Registry Number | 1740371 |
| Chemical Name Translation | 异硫氰酸异丁酯 |
| Reaxys-RN | 1740371 |
| PubChem Substance ID | 87571568 |
| Wiswesser Line Notation | SCN1Y1&1 |
| LabNetwork Molecule ID | LN00244557 |
| InChI | InChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3 |
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分类
- {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thiocyanates/Isothiocyanates
- {uni_hamburg} no charge; 1fragment
相关文献及参考
- Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
- Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
安全信息
- R10 Flammable 易燃
- R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
- R22 Harmful if swallowed 吞咽有害
- R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
- R34 Causes burns 会导致灼伤
- R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
- S20 When using do not eat or drink 使用时，不得进食，饮水；
- S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
- S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
- S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
- S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
- H226 Flammable liquid and vapour 易燃液体和蒸气
- P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
- P233 Keep container tightly closed. ?保持容器密闭。
- P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
- P241+P242+P243
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P301+P310
- P301+P310+P330
- P302+P352+P332+P313+P362+P364
- P303+P361+P353
- P304+P340+P311
- P305+P351+P338
- P305+P351+P338+P337+P313
- P332+P313
- P337+P313
- P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
- P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
- P370+P378
- P403+P233
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- P501a
GHS Symbol
TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Salmonella typhimurium DOSE/DURATION : 100 ug/plate REFERENCE : ABCHA6 Agricultural and Biological Chemistry. (Maruzen Co. Ltd., POB 5050, Tokyo International, Tokyo 100-31, Japan) V.25- 1961- Volume(issue)/page/year: 44,3017,1980
其他信息
- 图谱信息:异硫氰酸异丁酯(591-82-2)质谱(MS) 异硫氰酸异丁酯(591-82-2)红外图谱(IR1) 异硫氰酸异丁酯(591-82-2)核磁图( 13 CNMR) 异硫氰酸异丁酯(591-82-2)红外图谱(IR2) 异硫氰酸异丁酯(591-82-2)核磁图( 1 HNMR)
- TCI Shanghai:异硫氰酸异丁酯 Isobutyl Isothiocyanate,>;97.0%(GC)(591-82-2)
- Acros Organics:Isobutyl isothiocyanate, 97%(591-82-2)
- 异硫氰酸异丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0186 异硫氰酸异丁酯 Isobutyl Isothiocyanate 25ML 733元 2010/06/21 SB01703EA 异硫氰酸异丁酯 isobutyl isothiocyanate 10 GR 465元 2010/06/21 SB01703EB 异硫氰酸异丁酯 isobutyl isothiocyanate 25 GR 900元
- Alfa Aesar:异硫氰酸异丁酯,97% Isobutyl isothiocyanate, 97%(591-82-2)
- MOL 文件:591-82-2.mol
- 敏感性:Moisture Sensitive
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