3-(Trifluoromethyl)benzoic acid 3-(trifluoromethyl)benzoic acid

CAS 454-92-2 MFCD00002519

化学结构图

454-92-2
SMILES: O=C(O)c1cccc(C(F)(F)F)c1

化学属性

Mol. FormulaC8H5F3O2
Mol. Weight190.12
Boiling Point237.7°C at 760 mmHg
Melting Point104-106 °C
TSCANo
Density1.403
Flash Point102.9°C
Appearance 白色晶体粉末。
pH:A

别名和识别编码

Chemical Name3-(Trifluoromethyl)benzoic Acid
CAS Number454-92-2
Alfabeta NameTRIFLUOROMETHYLBENZOICACID 3()-
MDL NumberMFCD00002519
Synonym m-(Trifluoromethyl)benzoic acid {LY} m-(Trifluoromethyl)benzoic acid m-trifluoromethylbenzoic acid meta-trifluoromethylbenzoate ortho-trifluoromethylbenzoate {} {LY} m-(Trifluoromethyl)benzoic acid {} {} {LY} m-(Trifluoromethyl)benzoic acid {} {} {} {LY} m-(Trifluoromethyl)benzoic acid {} {} {} {} {LY} m-(Trifluoromethyl)benzoic acid {} {} {} {} {} {LY} m-(Trifluoromethyl)benzoic acid {} {} {} {} {} {} {LY} m-(Trifluoromethyl)benzoic acid {} {} {} {} {} {} {} {LY} m-(Trifluoromethyl)benzoic acid {} {} {} {} {} {} {} {} {LY} m-(Trifluoromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {LY} m-(Trifluoromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {LY} m-(Trifluoromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} m-(Trifluoromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} m-(Trifluoromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} m-(Trifluoromethyl)benzoic acid {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number9,478
PubChem Substance ID9963
EC Number207-230-2
Reaxys-RN2049239
Chemical Name Translation3-(trifluoromethyl)benzoic acid
LabNetwork Molecule IDLN00115711
InChIInChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
Canonical SMILESO=C(O)C1=CC=CC(C(F)(F)F)=C1
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分类

  • Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Beilstein:9,478

安全信息

Warnings IRRITANT
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。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P313
  • P332+P317
  • P337+P317
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
WGK Germany3
GHS Symbol
Signal word
Hazard statements
  • 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
Hazard Codes Xi
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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;
  • S37 Wear suitable gloves 戴适当手套;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
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
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
  • TCI Shanghai:3-三氟甲基苯甲酸 3-(Trifluoromethyl)benzoic Acid,>;98.0%(GC)(T)(454-92-2)
  • 3-三氟甲基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30231980 3-(三氟甲基)苯甲酸;间(三氟甲基)苯甲酸;α,α,α-三氟间甲苯甲酸;3-羧基三氟甲苯 5g 430元 2011/04/16 T1034 3-(三氟甲基)苯甲酸 3-(Trifluoromethyl)benzoic Acid 25G 902元 2011/04/16 T1034 3-(三氟甲基)苯甲酸 3-(Trifluoromethyl)benzoic Acid 5G 306元
  • MOL 文件:454-92-2.mol
  • Alfa Aesar:3-(三氟甲基)苯甲酸,98+% 3-(Trifluoromethyl)benzoic acid, 98+%(454-92-2)
  • Sigma Aldrich:454-92-2(sigmaaldrich)
  • Hazard Note:Irritant
  • 下游产品:3-甲基-4-[3-三氟甲基苯基]-5-氨基异噁唑 --> 3-氟-5-(三氟甲基)苯甲醛 --> 3-(三氟甲基)苯乙胺
  • MSDS 信息:3-(Trifluoromethyl)benzoic acid(454-92-2).msds
  • Acros Organics:3-三氟甲基苯甲酸 alpha,alpha,alpha-Trifluoro-m-toluic acid, 99%(454-92-2)
  • 图谱信息:3-三氟甲基苯甲酸(454-92-2)核磁图( 13 CNMR) 3-三氟甲基苯甲酸(454-92-2)红外图谱(IR1) 3-三氟甲基苯甲酸(454-92-2)质谱(MS) 3-三氟甲基苯甲酸(454-92-2)核磁图( 1 HNMR) 3-三氟甲基苯甲酸(454-92-2)红外图谱(IR2)

系列性分类


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