2-(Trifluoromethyl)phenyl isocyanate 2-(三氟甲基)苯基异氰酸酯

CAS 2285-12-3 MFCD00002008

化学结构图

2285-12-3
SMILES: O=C=Nc1ccccc1C(F)(F)F

化学属性

Mol. FormulaC8H4F3NO
Mol. Weight187.12 g/mol
Density1.238
Refractive index1.4730 to 1.4750
Flash Point58°C(lit.)
TSCANo
Boiling Point79°C/11mmHg(lit.)
Stability催泪

别名和识别编码

Chemical Name2-(Trifluoromethyl)phenyl isocyanate
Synonym α,α,α-三氟邻甲苯基异氰酸酯 1-Isocyanato-2-(trifluoromethyl)benzene 2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE 2-(Trifluormethyl)-phenylisocyanat 2-(Trifluormethyl)phenylisocyanat 2-(Trifluoromethyl)phenyl Isocyanate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number2285-12-3
EC Number218-925-5
Beilstein Registry Number977056
MDL NumberMFCD00002008
PubChem Substance ID16794
Reaxys-RN977056
Chemical Name Translation2-(三氟甲基)苯基异氰酸酯
InChIKeyGZWGTVZRRFPVAS-UHFFFAOYSA-N
Wiswesser Line NotationNCOR BXFFF
LabNetwork Molecule IDLN01319098
InChIInChI=1S/C8H4F3NO/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h1-4H
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; isocyanate; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Isocyanates, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.
  • 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.e

安全信息

Signal word
GHS Symbol
WGK Germany2
Safety Statements
  • 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；
  • 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；
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
  • 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）；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • 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 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • 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。
  • 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。
  • P264+P265
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P285 In case of inadequate ventilation wear respiratory protection. 在通风不足的情况下，戴呼吸防护。
  • P301+P312+P330
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P304+P340
  • P304+P340+P310
  • P304+P341
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P316
  • P319
  • P320 Specific treatment is urgent (see … on this label). 紧急具体治疗（见本标签上的）。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P342+P311
  • P342+P316
  • 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
  • P362+P364
  • P370+P378
  • P403 Store in a well-ventilated place. 储存在通风良好的地方。
  • P403+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H330 Fatal if inhaled 吸入致命
  • 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 Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSNR0201000
Packing GroupII
UN Number UN 3384 6.1/PG 1 3384 2285
Storage condition Moisture Sensitive 0-10 0-6°C 0-10°C
Hazard Codes Xi,T
Hazard Class6.1/3 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 7 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv.
   Toxicology of New Industrial Chemical Substances.  For English translation,
   see TNICS*.  (Izdatel'stvo Meditsina, Moscow, USSR)  No.1-    1961-
   Volume(issue)/page/year: 15,128,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 7 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv.
   Toxicology of New Industrial Chemical Substances.  For English translation,
   see TNICS*.  (Izdatel'stvo Meditsina, Moscow, USSR)  No.1-    1961-
   Volume(issue)/page/year: 15,128,1979

其他信息

  • 上游原料:二氯甲烷 --> 碳酸氢钠 --> 二(三氯甲基)碳酸酯 --> 邻氨基三氟甲苯
  • 间三氟甲苯异氰酸酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 I0412 异氰酸2-(三氟甲基)苯酯 2-(Trifluoromethyl)phenyl Isocyanate 10G 916元 2010/06/21 170340050 间三氟甲苯异氰酸酯 alpha,alpha,alpha-Trifluoro-o-tolyl isocyanate 97% 5 GR 454元 2010/06/21 170340250 间三氟甲苯异氰酸酯 alpha,alpha,alpha-Trifluoro-o-tolyl isocyanate 97% 25 GR 1434元
  • Sigma Aldrich:2285-12-3(sigmaaldrich)
  • 下游产品:伏草隆
  • Hazard Note:Toxic/Lachrymatory/Keep Cold
  • 图谱信息:间三氟甲苯异氰酸酯(2285-12-3)质谱(MS) 间三氟甲苯异氰酸酯(2285-12-3)红外图谱(IR1) 间三氟甲苯异氰酸酯(2285-12-3)核磁图( 1 HNMR)
  • 间三氟甲苯异氰酸酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0412 异氰酸2-(三氟甲基)苯酯 2-(Trifluoromethyl)phenyl Isocyanate 10G 846元 2010/06/21 170340050 间三氟甲苯异氰酸酯 alpha,alpha,alpha-Trifluoro-o-tolyl isocyanate 97% 5 GR 454元 2010/06/21 170340250 间三氟甲苯异氰酸酯 alpha,alpha,alpha-Trifluoro-o-tolyl isocyanate 97% 25 GR 1434元
  • Acros Organics:alpha,alpha,alpha-三氟邻甲苯异氰酸酯 alpha,alpha,alpha-Trifluoro-o-tolyl isocyanate, 97%(2285-12-3)
  • TCI Shanghai:2-三氟甲基苯异氰酸酯 2-(Trifluoromethyl)phenyl Isocyanate,>;98.0%(GC)(2285-12-3)
  • Alfa Aesar:2-(三氟甲基)苯基异氰酸酯,97% 2-(Trifluoromethyl)phenyl isocyanate, 97%(2285-12-3)
  • MOL 文件:2285-12-3.mol
  • 存储注意事项:湿度敏感;氮气保护;热敏感
  • 敏感性:Lachrymatory

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. Nitrogen Compounds 氮化合物
  5. Isocyanates - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Isocyanates - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Imines/Amidines
  1. Functional Group 官能团索引
  2. isocyanate

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