4-Methylphenyl Isothiocyanate 对甲苯异硫氰酸酯

CAS 622-59-3 MFCD00004813

化学结构图

622-59-3
SMILES: Cc1ccc(N=C=S)cc1

化学属性

Mol. FormulaC8H7NS
Mol. Weight149.21 g/mol
Refractive indexn20/D 1.6345(lit.)
Boiling Point237
Melting Point25-26
Flash Point107°(224°F)
TSCANo
SolubilityMAY DECOMPOSE
Density1.422

别名和识别编码

Chemical Name4-Methylphenyl Isothiocyanate
Synonym 4-METHYLPHENYL ISOTHIOCYANATE 99+% 4-Tolyl isothiocyanate 4-Tolylisothiocyanat 4-Tolylisothiocyanate p-Tolyl isothiocyanate p-Tolylisothiocyanat ISOTHIOCYANIC ACID P-TOLYL ESTER Isothiocyanic acid, p-tolyl ester Isothiocyanic acid, p-tolyl ester P－聚乙基乙酸酯 p-Tolyl Isothiocyanate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00004813
CAS Number622-59-3
PubChem Substance ID87571746
EC Number210-745-5
Beilstein Registry Number386032
Reaxys-RN6718889
Chemical Name Translation对甲苯异硫氰酸酯
InChIKeyABQKHKWXTUVKGF-UHFFFAOYSA-N
Wiswesser Line NotationSCNR D1
LabNetwork Molecule IDLN00116567
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分类

  • {SA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Protein Sequencing, Protein Structural Analysis, Proteomics, Reagents for Protein Sequencing, Sulfur Compounds, Thiocyanates/Isothiocyanates
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thiocyanates/Isothiocyanates
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment

相关文献及参考

  • Short: IV/1a Title: Densities of Liquid Systems: Nonaqueous Systems and Ternary Aqueous Systems Author: Lacmann, R.; Synowietz, C. Editor: Schäfer, Kl. Source: Landolt-Börnstein, New Series Volume: IV/1a Year: 1974 ISBN: 3-540-06269-6 ISBN: 978-3-540-06269-1 Internet Resource: DOI:10.1007/b20003 RefComment: X, 716 pages. Hardcover Abstract: Volume IV/1 contains information on the densities of liquid systems. It may be considered as a supplement to volume II/1 of the 6th Edition, which contains only a few data on nonaqueous systems. Data are not listed for all systems but primarily for those of greater interest where data for a larger range of concentrations were available.
  • 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

GHS Symbol
WGK Germany3
Hazard statements
  • H301+H331
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H319 Causes serious eye irritation 严重刺激眼睛
  • 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
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
RTECSNX9500000
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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
  • 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。
  • 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
  • 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。
  • P332+P313
  • P302+P352+P332+P313+P362+P364
  • P342+P311
  • P304+P340+P311
  • 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。
  • P302+P350
  • P337+P313
  • P403+P233
Signal word
Packing GroupII
UN Number
Risk Statements
  • 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
  • R42/43
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • 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
  • R34 Causes burns 会导致灼伤
  • R42 May cause sensitisation by inhalation 吸入会产生过敏反应
Safety Statements
  • 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）；
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • 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；
  • S22 Do not breathe dust 不要吸入粉尘；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Storage condition Moisture Sensitive
Hazard Codes Xn T;Xn
Hazard Class6.1 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 150 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

  • Alfa Aesar:对甲苯异硫代异氰酸酯,97% p-Tolyl isothiocyanate, 97%(622-59-3)
  • MOL 文件:622-59-3.mol
  • 图谱信息:对甲苯异硫氰酸酯(622-59-3)质谱(MS) 对甲苯异硫氰酸酯(622-59-3)红外图谱(IR1) 对甲苯异硫氰酸酯(622-59-3)核磁图( 1 HNMR) 对甲苯异硫氰酸酯(622-59-3)核磁图( 13 CNMR)
  • TCI Shanghai:异硫氰酸对甲苯酯 p-Tolyl Isothiocyanate,>;98.0%(GC)(622-59-3)
  • Sigma Aldrich:622-59-3(sigmaaldrich)
  • 对甲苯异硫氰酸酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0393 异硫氰酸对甲苯酯 p-Tolyl Isothiocyanate 25G 1060元 2014/06/02 I0393 异硫氰酸对甲苯酯 p-Tolyl Isothiocyanate 5G 351元 2010/06/21 TL00540EA 对甲苯异硫氰酸酯 4-methylphenyl isothiocyanate 10 GR 690元
  • F:10-21
  • 敏感性:Moisture Sensitive
  • Acros Organics:对甲苯基异硫氰酸酯 p-Tolyl isothiocyanate, 99%(622-59-3)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Thiocyanates/Isothiocyanates - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Thiocyanates/Isothiocyanates - Sulfur Compounds
  1. Life Science 生命科学
  2. Proteomics 蛋白质组学
  3. Protein Structural Analysis - Proteomics
  4. Protein Sequencing - Protein Structural Analysis
  5. Reagents for Protein Sequencing - Protein Sequencing
  1. Functional Group 官能团索引
  2. isothiocyanate