1-(4-Fluorophenyl)-2-thiourea 4－氟苯硫脲

CAS 459-05-2 MFCD00041180

化学结构图

459-05-2
SMILES: NC(=S)Nc1ccc(F)cc1

化学属性

Mol. FormulaC7H7FN2S
Mol. Weight170.21
Melting Point163-167°C
TSCANo
Density1.397
Boiling Point264.2 °C at 760 mmHg

别名和识别编码

Chemical Name1-(4-Fluorophenyl)-2-thiourea
CAS Number459-05-2
Alfabeta NameFLUOROPHENYLTHIOUREA N4()--
MDL NumberMFCD00041180
Synonym 1-(4-Fluorophenyl)-2-thiourea {LY} 1-(4-Fluorophenyl)-2-thiourea {} {LY} 1-(4-Fluorophenyl)-2-thiourea {} {} {LY} 1-(4-Fluorophenyl)-2-thiourea {} {} {} { {} {} {} {LY} 1-(4-Fluorophenyl)-2-thiourea {} {} {} {} {LY} 1-(4-Fluorophenyl)-2-thiourea {} {} {} {} {} {LY} 1-(4-Fluorophenyl)-2-thiourea {} {} {} {} {} {} {LY} 1-(4-Fluorophenyl)-2-thiourea {} {} {} {} {} {} {} {LY} 1-(4-Fluorophenyl)-2-thiourea {} {} {} {} {} {} {} {} {LY} 1-(4-Fluorophenyl)-2-thiourea {} {} {} {} {} {} {} {} {} {LY} 1-(4-Fluorophenyl)-2-thiourea {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Fluorophenyl)-2-thiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Fluorophenyl)-2-thiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Fluorophenyl)-2-thiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(4-Fluorophenyl)-2-thiourea {} {} {} {} {} {} {} {} {}
PubChem Substance ID693061
EC Number000-000-0
Beilstein Registry Number2803645
Chemical Name Translation4－氟苯硫脲
Reaxys-RN2803645
LabNetwork Molecule IDLN00119227
InChIInChI=1S/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
Canonical SMILESS=C(N)NC1=CC=C(F)C=C1
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分类

  • {KO} Thioamides
  • {SNA} Aryl Fluorinated Building Blocks, Building Blocks, C7-C8, Chemical Synthesis, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks, Sulfur Compounds, Thioureas

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • 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。
  • P301+P310
  • P301+P310+P330
  • P305+P351+P338
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Safety Statements
  • S25 Avoid contact with eyes 避免眼睛接触；
  • 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 Wear suitable protective clothing 穿戴适当的防护服；
  • 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）；
Packing GroupIII
UN Number 2811 UN 2811 6.1/PG 3
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R36 Irritating to eyes 刺激眼睛
Hazard Codes 6.1 T T,Xi
Hazard Class6.1
RTECSYU1400000
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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 Acceptors
1
Rotatable Bonds
2
H-bond Donors
2
LogP
2

其他信息

  • MOL 文件:459-05-2.mol
  • Hazard Note:Toxic
  • 1-(4-氟苯基)-2-硫脲价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L11159 4-氟苯硫脲, 99% N-(4-Fluorophenyl)thiourea, 99% 5g 685元 2010/05/25 L11159 4-氟苯硫脲, 99% N-(4-Fluorophenyl)thiourea, 99% 1g 204元
  • Sigma Aldrich:459-05-2(sigmaaldrich)
  • Alfa Aesar:4-氟苯硫脲,99% N-(4-Fluorophenyl)thiourea, 99%(459-05-2)

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. Sulfur Compounds 硫化合物
  5. Thioureas - Sulfur 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

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