2,3,4,5,6-Pentafluorobenzoic acid 2,3,4,5,6-五氟苯甲酸

CAS 602-94-8 MFCD00002406

化学结构图

602-94-8
SMILES: O=C(O)c1c(F)c(F)c(F)c(F)c1F

化学属性

Mol. FormulaC7HF5O2
Mol. Weight212.08
Boiling Point220
TSCAT
Melting Point103.0 to 105.0 deg-C
Flash Point219-221°C
Appearance 白色或类白色结晶粉末。沸点220℃，熔点100℃-102℃，比重1.94。
Density1,944 g/cm3

别名和识别编码

Chemical Name2,3,4,5,6-Pentafluorobenzoic acid
CAS Number602-94-8
Alfabeta NamePENTAFLUOROBENZOICACID
MDL NumberMFCD00002406
PubChem Substance ID11770
EC Number210-026-6
Beilstein Registry Number2054395
Synonym Perfluorobenzoic acid {LY} Perfluorobenzoic acid {} {LY} Perfluorobenzoic acid {} {} {LY} Perfluorobenzoic acid {} {} {} {LY} Perfluorobenzoic acid {} {} {} {} {LY} Perfluorobenzoic acid {} {} {} {} {} {LY} Perfluorobenzoic acid {} {} {} {} {} {} {LY} Perfluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Perfluorobenzoic acid {} {} {} {} {} {} {} {} {LY} Perfluorobenzoic acid {} {} {} {} {} {} {} {} {} {LY} Perfluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} Perfluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Perfluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Perfluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Perfluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Perfluorobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Perfluorobenzoic acid
Chemical Name Translation2,3,4,5,6-五氟苯甲酸
Reaxys-RN2054395
Wiswesser Line NotationQVR BF CF DF EF FF
InChIKeyYZERDTREOUSUHF-UHFFFAOYSA-N
LabNetwork Molecule IDLN00115717
InChIInChI=1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
Canonical SMILESO=C(O)C1=C(F)C(F)=C(F)C(F)=C1F
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分类

  • {SNA} Aryl Fluorinated Building Blocks, Building Blocks, C7, C7-C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
  • Aryl Fluorinated Building Blocks, Building Blocks, C7, C7-C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks

相关文献及参考

  • Beil. 9 ,IV,956
  • Corp MSDS 1 (2), 2704:A / FT-IR 2 (2), 2722:A / FT-IR 1 (2), 235:D / FT-NMR 1 (2), 1158:A / IR-Spectra (3), 983:F / IR-Spectra (2), 862:B / RegBook 1 (2), 1825:F / Sigma FT-IR 1 (2), 822:A / Structure Index 1 , 292:A:6 / Vapor Phase 3 , 1333:B

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes T T,Xi
RTECSDH6195000
Precautionary statements
  • 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+P312
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Safety Statements
  • 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）；
  • 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；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Packing GroupIII
UN Number UN 2811 6.1/PG 3 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 178 mg/kg
TOXIC EFFECTS :
   Behavioral - rigidity (including catalepsy)
   Behavioral - muscle contraction or spasticity
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 11,1020,1968

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 海关编码:29163900
  • MOL 文件:602-94-8.mol
  • 下游产品:五氟苯甲醇
  • Sigma Aldrich:602-94-8(sigmaaldrich)
  • 用途一:用作医药中间体
  • Alfa Aesar:五氟苯甲酸,99% Pentafluorobenzoic acid, 99%(602-94-8)
  • Acros Organics:五氟苯甲酸 Pentafluorobenzoic acid, 99%(602-94-8)
  • MSDS 信息:2,3,4,5,6-Pentafluorobenzoic acid(602-94-8).msds
  • Hazard Note:Irritant
  • TCI Shanghai:五氟苯甲酸 Pentafluorobenzoic Acid,>;99.0%(T)(602-94-8)
  • TSCA:T
  • 2,3,4,5,6-五氟苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0806 五氟苯甲酸 Pentafluorobenzoic Acid 5G 261元 2014/06/02 P0806 五氟苯甲酸 Pentafluorobenzoic Acid 25G 794元 2010/05/25 A12396 五氟苯甲酸, 99% Pentafluorobenzoic acid, 99% 25g 1582元

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Fluorinated Building Blocks 氟化物砌块
  4. Organic Fluorinated Building Blocks - Fluorinated Building Blocks
  5. Other Fluorinated Organic Building Blocks - Organic Fluorinated Building Blocks
  6. Aryl Fluorinated Building Blocks 芳基氟化物
  7. C7-C8 - Aryl Fluorinated Building Blocks
  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. Carboxylic Acids - Carbonyl Compounds
  6. C7 - Carboxylic Acids
  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. Organo Fluorine
  2. Fluorine

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