4-(Trifluoromethyl)phenylisocyanate 4-三氟甲基苯基异氰酸酯

CAS 1548-13-6 MFCD00002028

化学结构图

1548-13-6
SMILES: O=C=Nc1ccc(C(F)(F)F)cc1

化学属性

Mol. FormulaC8H4F3NO
Mol. Weight187.12
Density1.31
Refractive index1.4690 to 1.4730
Boiling Point59°C/10mmHg(lit.)
Flash Point69°C(lit.)
TSCANo
Stability对湿度和对空气敏感
Appearance colorless liq.

别名和识别编码

Chemical Name4-(Trifluoromethyl)phenylisocyanate
CAS Number1548-13-6
Alfabeta NameISOCYANATOTRIFLUOROMETHYLBENZENE 14()---
MDL NumberMFCD00002028
Synonym 1-ISOCYANATO-4-(TRIFLUOROMETHYL)BENZENE 1-Isocyanato-4-(trifluoromethyl)benzene; Trifluoro-p-tolyl isocyanate; p-Trifluoromethylphenyl isocyanate 1-Isocyanato-4-trifluoromethyl-benzene 4-(TRIFLUOROMETHYL)PHENYL ISOCYABATE 4-(TRIFLUOROMETHYL)PHENYL ISOCYANATE 4-(Trifluormethyl)-phenylisocyanat 4-(Trifluormethyl)phenylisocyanat 4-(Trifluoromethyl)phenyl isocyanate 4-(Trifluoromethyl)phenyl isocyanate ,99% 4-(Trifluoromethyl)phenyl isocyanate 97% 4-(Trifluoromethyl)phenylisocyanate97% 4-(三氟甲基)异氰酸苯酯 4-Isocyanatobenzotrifluoride 4-三氟甲基苯基异氰酸酯 4-三氟甲基苯异氰酸 4-三氟甲基苯异氰酸酯 p-Trifluoromethylphenyl isocyanate p-Trifluoromethylphenylisocyanate ALPHA,ALPHA, ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLYL ISOCYANATE
EC Number216-284-6
Beilstein Registry Number881041
PubChem Substance ID73768
Reaxys-RN881041
Chemical Name Translation4-三氟甲基苯基异氰酸酯
InChIKeyQZTWVDCKDWZCLV-UHFFFAOYSA-N
LabNetwork Molecule IDLN00141113
InChIInChI=1S/C8H4F3NO/c9-8(10,11)6-1-3-7(4-2-6)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/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 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), carbon-13 (subvol. D), and oxygen-17 (subvol. E) 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 CD-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

Warnings IRRITANT
Signal word Danger Warning
GHS Symbol
WGK Germany3
Safety Statements
  • 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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）；
Risk Statements
  • 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
  • R23 Toxic by inhalation 吸入有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R42 May cause sensitisation by inhalation 吸入会产生过敏反应
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。
  • 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。
  • 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。
  • 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
  • P301+P312+P330
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P312
  • P304+P340
  • P304+P340+P310
  • P304+P341
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • 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）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • P342+P311
  • 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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • 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
  • H332 Harmful if inhaled 吸入有害
  • 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, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Packing GroupII
UN Number 2285 3382 UN 3382 6.1/PG 1 UN2285
Storage condition Moisture Sensitive 对空气中的CO2、水敏感，密封保存 0-10°C 2-8°C 0-10
Hazard Codes 6.1 Xn Xn,T
Hazard Class6.1/3

其他信息

  • 4-三氟甲基苯异氰酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T2403 异氰酸4-(三氟甲基)苯酯 4-(Trifluoromethyl)phenyl Isocyanate 25G 2410元 2014/06/02 T2403 异氰酸4-(三氟甲基)苯酯 4-(Trifluoromethyl)phenyl Isocyanate 5G 790元 2010/06/21 314220050 4-三氟甲基苯异氰酸 alpha,alpha,alpha-Trifluoro-p-tolyl isocyanate 99% 5 GR 752元
  • TCI Shanghai:4-三氟甲基苯异氰酸酯 4-(Trifluoromethyl)phenyl Isocyanate,>;98.0%(GC)(1548-13-6)
  • Alfa Aesar:4-三氟甲基苯基异氰酸酯,98% 4-(Trifluoromethyl)phenyl isocyanate, 98%(1548-13-6)
  • 上游原料:二氯甲烷 --> 氧氯化硫 --> 甲苯 --> 丙酮 --> 苯 --> 叠氮化钠 --> 4-三氟甲基苯甲酸
  • F:10-21
  • Hazard Note:Toxic/Lachrymatory/Keep Cold
  • 存储注意事项:湿度敏感;惰性气体保护
  • 检测方法:HPLC
  • MOL 文件:1548-13-6.mol
  • Acros Organics:alpha,alpha,alpha-三氟对甲苯异氰酸酯 alpha,alpha,alpha-Trifluoro-p-tolyl isocyanate, 99%(1548-13-6)
  • 图谱信息:4-三氟甲基苯异氰酸(1548-13-6)红外图谱(IR1)
  • Sigma Aldrich:1548-13-6(sigmaaldrich)
  • 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. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Alkyl 烷基卤代烃
  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. Carbonyl Compounds 羰基化合物
  5. Aromatic acids
  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
  1. Organo Fluorine
  2. Fluorine