1-(3-Methylphenyl)-2-Thiourea 间甲苯基-2-硫脲

CAS 621-40-9 MFCD00060451

化学结构图

621-40-9
SMILES: Cc1cccc(NC(N)=S)c1

化学属性

Mol. FormulaC8H10N2S
Mol. Weight166.24
Melting Point120-122 °C
Boiling Point280.7±33.0 °C at 760 mmHg

别名和识别编码

Chemical Name1-(3-Methylphenyl)-2-Thiourea
CAS Number621-40-9
Alfabeta NameMETHYLPHENYLTHIOUREA 132()----
MDL NumberMFCD00060451
Chemical Name Translation间甲苯基-2-硫脲
Synonym (3-Methylphenyl)thiourea {LY} (3-Methylphenyl)thiourea {} {LY} (3-Methylphenyl)thiourea {} {} {LY} (3-Methylphenyl)thiourea {} {} {} {LY} (3-Methylphenyl)thiourea {} {} {} {} {LY} (3-Methylphenyl)thiourea {} {} {} {} {} {LY} (3-Methylphenyl)thiourea {} {} {} {} {} {} {LY} (3-Methylphenyl)thiourea {} {} {} {} {} {} {} {LY} (3-Methylphenyl)thiourea {} {} {} {} {} {} {} {} {LY} (3-Methylphenyl)thiourea {} {} {} {} {} {} {} {} {} {LY} (3-Methylphenyl)thiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (3-Methylphenyl)thiourea {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} (3-Methylphenyl)thiourea {} {} {} {} {} {} {} {} {} {} {} {} {LY} (3-Methylphenyl)thiourea {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (3-Methylphenyl)thiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (3-Methylphenyl)thiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number210-686-5
Wiswesser Line NotationSUYZMR C1
InChIKeyJODPVHLKQIOIIW-UHFFFAOYSA-N
LabNetwork Molecule IDLN00159508
PubChem Substance ID701727
InChIInChI=1S/C8H10N2S/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
Canonical SMILESCC1=CC(NC(N)=S)=CC=C1
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分类

  • {Chemicalbook} 农药中间体: 除草剂中间体: 取代脲类除草剂

安全信息

Warnings IRRITANT
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；
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
RTECSYU2900000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,45,1953

Storage condition

其他信息

  • 方法一:其制备方法是在反应器中加入碳酸钠溶液，将苯胺的二硫化碳溶液加到反应器中，反应温度控制在40～50℃，生成苯胺基二硫代甲酸钠(PhNHCS 2 Na)，然后再加入甲胺溶液，并不断搅拌而得到结晶，过滤、洗涤而得成品。
  • Sigma Aldrich:2724-69-8(sigmaaldrich)
  • 用途一:1-甲基-3-苯基硫脲可用以制备除草剂甲基苯噻隆的中间体2-甲氨基苯并噻唑。
  • 下游产品:2-甲氨基苯并噻唑
  • 上游原料:一甲胺 --> 甲酸钠
  • MOL 文件:2724-69-8.mol
  • MOL 文件:621-40-9.mol

系列性分类

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