Cyclohexyl Isothiocyanate 环己基异硫氰酸脂
CAS 1122-82-3 MFCD00003841
化学结构图
SMILES: S=C=NC1CCCCC1
化学属性
| Mol. Formula | C7H11NS |
|---|---|
| Mol. Weight | 141 |
| Boiling Point | 219°C(lit.) |
| Density | 0.996 |
| Refractive index | 1.5330 to 1.5390 |
| Flash Point | 95°C(lit.) |
| TSCA | Yes |
别名和识别编码
| Chemical Name | Cyclohexyl Isothiocyanate |
|---|---|
| CAS Number | 1122-82-3 |
| Alfabeta Name | CYCLOHEXYLISOTHIOCYANATE |
| MDL Number | MFCD00003841 |
| Synonym | {uni_hamburg} AKOS BBS-00004439 Cyclohexane, isothiocyanato- Isothiocyanato-cyclohexane Cyclohexylisothiocyanat Cyclohexyl isothiocyanate 异硫氰酸环己酯 Isothiocyanic acid, cyclohexyl ester 环己基异硫氰酸脂 isothiocyanato-cyclohexan isothiocyanatocyclohexane Isothiocyanocyclohexane Cyclohexyl-isothiocyanat |
| EC Number | 214-361-9 |
| Beilstein Registry Number | 12(3)53 |
| PubChem Substance ID | 14289 |
| Chemical Name Translation | 环己基异硫氰酸脂 |
| Reaxys-RN | 774525 |
| InChIKey | MZSJGCPBOVTKHR-UHFFFAOYSA-N |
| Wiswesser Line Notation | L6TJ ANCS |
| LabNetwork Molecule ID | LN00167154 |
| InChI | InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2 |
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分类
- {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thiocyanates/Isothiocyanates
- {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; 1fragment
相关文献及参考
- Short: II/14a Title: Molecular Constants: Diamagnetic Molecules Author: Demaison, J.; Dubrulle, A.; Hüttner, W.; Tiemann, E. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/14a Page: 1-788 Year: 1982 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-11365-7 ISBN: 978-3-540-11365-2 Internet Resource: DOI:10.1007/b19966 RefComment: 196 figs., XI
- Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.
- 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
- R34 Causes burns 会导致灼伤
- 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
- R42 May cause sensitisation by inhalation 吸入会产生过敏反应
- 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；
- 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）；
- S39 Wear eye/face protection 戴眼睛/面孔保护装置；
- 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；
GHS Symbol
- H302+H332
- H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
- H317 May cause an allergic skin reaction 可能导致皮肤过敏
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
- P303+P361+P353+P310+P363
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- 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+P330+P331
- P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P305+P351+P338
- P405 Store locked up. 上锁保管。
- P304+P340+P312
- P303+P361+P353
- 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。
- P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 300 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 16,870,1966
其他信息
- MOL 文件:1122-82-3.mol
- TCI Shanghai:异硫氰酸环己酯 Cyclohexyl Isothiocyanate,>;98.0%(GC)(1122-82-3)
- Alfa Aesar:异硫氰酸环己酯,98% Cyclohexyl isothiocyanate, 98%(1122-82-3)
- 图谱信息:环己基异硫氰酸脂(1122-82-3)质谱(MS) 环己基异硫氰酸脂(1122-82-3)核磁图( 13 CNMR) 环己基异硫氰酸脂(1122-82-3)红外图谱(IR1) 环己基异硫氰酸脂(1122-82-3)核磁图( 1 HNMR)
- Sigma Aldrich:1122-82-3(sigmaaldrich)
- Acros Organics:环己基异硫氰酸脂 Cyclohexyl isothiocyanate, 98%(1122-82-3)
- 敏感性:Moisture Sensitive
- 环己基异硫氰酸脂价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0187 异硫氰酸环己酯 Cyclohexyl Isothiocyanate 10ML 455元 2010/06/21 TL01156EA 环己基异硫氰酸脂 cyclohexyl isothiocyanate 10 GR 315元 2010/06/21 TL01156EB 环己基异硫氰酸脂 cyclohexyl isothiocyanate 25 GR 405元
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