2-[3-(trifluoromethyl)phenoxy] acetonitrile 2-[3-(三氟甲基)苯氧基]乙腈

CAS 2145-31-5 MFCD00052929

化学结构图

2145-31-5
SMILES: N#CCOc1cccc(C(F)(F)F)c1

化学属性

Mol. FormulaC9
Mol. Weight201
Boiling Point82-84°/0.5mm
Melting PointBP: 82-84 @ 0 mBar (°C)
Refractive index1.4610
TSCANo
Flash Point82-84°C/0.5mm

别名和识别编码

Chemical Name2-[3-(trifluoromethyl)phenoxy] acetonitrile
CAS Number2145-31-5
Alfabeta NameTRIFLUOROMETHYLPHENOXYACETONITRILE 23[]()--
MDL NumberMFCD00052929
Beilstein Registry Number2103990
Synonym 3-(Trifluoromethyl)phenoxyacetonitrile97% 2-[3-(TRIFLUOROMETHYL)PHENOXY]ACETONITRILE 3-(三氟甲基)苯氧基乙腈 3-(Trifluoromethyl)phenoxyacetonitrile 97% 2-(间三氟甲基苯氧基)乙腈 BUTTPARK 80\07-14 3-(TRIFLUOROMETHYL)PHENOXYACETONITRILE
Chemical Name Translation2-[3-(三氟甲基)苯氧基]乙腈
InChIKeyUGZFDPFADQHEMW-UHFFFAOYSA-N
LabNetwork Molecule IDLN00147593
PubChem Substance ID137446
InChIInChI=1S/C9H6F3NO/c10-9(11,12)7-2-1-3-8(6-7)14-5-4-13/h1-3,6H,5H2
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分类

  • {KO} Nitriles

安全信息

Warnings IRRITANT
Packing GroupIII
UN Number UN3276 3276
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
  • 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
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；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • 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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Hazard Codes T
Hazard Class6.1

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
0
H-bond Acceptors
2
Rotatable Bonds
2
LogP
2

其他信息

  • Alfa Aesar:3-(三氟甲基)苯氧基乙腈,98% 3-(Trifluoromethyl)phenoxyacetonitrile, 98%(2145-31-5)
  • MOL 文件:2145-31-5.mol
  • 3-(三氟甲基)苯氧基乙腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L10794 3-(三氟甲基)苯氧基乙腈, 98% 3-(Trifluoromethyl)phenoxyacetonitrile, 98% 5g 2492元 2010/05/25 L10794 3-(三氟甲基)苯氧基乙腈, 98% 3-(Trifluoromethyl)phenoxyacetonitrile, 98% 1g 645元
  • Hazard Note:Toxic

系列性分类

  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

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