2-Benzyl-2-thiopseudourea hydrochloride S-苄基硫脲盐酸盐

CAS 538-28-3 MFCD00012583

化学结构图

538-28-3
SMILES: Cl.N=C(N)SCc1ccccc1

化学属性

Mol. FormulaC8H11ClN2S
Mol. Weight202.70
Melting Point177-179°C
TSCAYes
Solubility250 G/L (15 ºC)
Appearance 白色结晶。熔点172-174℃（亚稳型为146-148℃），溶于水和醇，不溶于醚。
Density1.422
Stability易吸潮
Boiling Point283.2°C at 760 mmHg
Flash Point125.1°C

别名和识别编码

Chemical Name2-Benzyl-2-thiopseudourea hydrochloride
MDL NumberMFCD00012583
CAS Number538-28-3
Synonym Benzyl carbamimidothioate hydrochloride {LY} Benzyl carbamimidothioate hydrochloride {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {} {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl carbamimidothioate hydrochloride
PubChem Substance ID10852
Beilstein Registry Number3656719
EC Number208-688-6
Merck Number1146
Alfabeta NameBENZYLIMIDOTHIOCARBAMATEHYDROCHLORIDE
Chemical Name TranslationS-苄基硫脲盐酸盐
Reaxys-RN3656719
Wiswesser Line NotationMUYZS1R &GH
LabNetwork Molecule IDLN00178039
InChIInChI=1S/C8H10N2S.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H
Canonical SMILESN=C(SCC1=CC=CC=C1)N.Cl
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thioureas

产品应用

  • 测定钴和镍的试剂，鉴别和分离羧酸、亚磺酸及磺酸，有机微量分析测定氮、硫和氯的标准样品。有机合成中间体。

相关文献及参考

  • Merck:14,1146
  • Merck:14,1146 Beilstein: 6,III,1600

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P301+P310+P330
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P405 Store locked up. 上锁保管。
  • P301+P310
  • 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。
Hazard statements
  • H300 Fatal if swallowed 吞食致命
RTECSUM0738000
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Signal word
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；
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
  • 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）；
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Packing GroupII
UN Number
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Codes T
Warnings IRRITANT
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 32 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#00167

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 27 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 27(2),52,1983

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 80 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NDRC** National Defense Research Committee, Office of Scientific Research
   and Development, Progress Report.  Volume(issue)/page/year: No.9-4-1-9,1943

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

TYPE OF TEST

其他信息

  • 储运特性:通风低温干燥; 与库房食品原料分开存放
  • MSDS 信息:2-Benzylisothiouronium chloride(538-28-3).msds
  • 上游原料:苄基氯
  • Acros Organics:苄基异硫脲 2-Benzyl-2-thiopseudourea hydrochloride, 99%(538-28-3)
  • 方法一:由氯苄与硫脲缩合而得。将氯苄、硫脲和乙醇加入反应器中混合，加热回流，反应后脱色过滤，冷却结晶，再用乙醚洗涤，精制而得成品。
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 类别:有毒物品
  • MOL 文件:538-28-3.mol
  • 海关编码:29309070
  • S-苄基硫脲盐酸盐价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30022580 盐酸-S-苄基异硫脲 10g 145.2元 2011/04/16 B0442 S-苄基异硫脲盐酸盐 S-Benzylisothiourea Hydrochloride 25G 691元 2010/06/21 402171000 S-苄基硫脲盐酸盐 2-Benzyl-2-thiopseudourea hydrochloride 99% 100 GR 983元
  • 图谱信息:S-苄基硫脲盐酸盐(538-28-3)红外图谱(IR2) S-苄基硫脲盐酸盐(538-28-3)红外图谱(IR1) S-苄基硫脲盐酸盐(538-28-3)核磁图( 1 HNMR) S-苄基硫脲盐酸盐(538-28-3)核磁图( 13 CNMR) S-苄基硫脲盐酸盐(538-28-3)质谱(MS)
  • 敏感性:Hygroscopic
  • 下游产品:苄硫醇 --> 邻甲氧基羰基苄磺酰氯
  • 急性毒性:口服-大鼠 LD50: 150 毫克/公斤; 皮下-小鼠 LDL0: 80 毫克/公斤
  • 用途二:测定钴和镍的试剂，鉴别和分离羧酸、亚磺酸及磺酸，有机微量分析测定氮、硫和氯的标准样品。有机合成中间体。
  • Alfa Aesar:S-苄基氯化异硫脲,98+% S-Benzylisothiouronium chloride, 98+%(538-28-3)
  • Sigma Aldrich:538-28-3(sigmaaldrich)
  • 可燃性危险特性:可燃; 燃烧产生有毒氮氧化物, 硫氧化物和氯化氢烟雾
  • 毒性分级:高毒
  • TCI Shanghai:S-苄基异硫脲盐酸盐 S-Benzylisothiourea Hydrochloride,>;99.0%(T)(538-28-3)
  • 能溶于水和醇，不溶于醚，将低熔点的溶于醇中，种入高熔点晶种，可提高其熔点。
  • 用途一:有机合成中间体，分析试剂。

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Solvents 溶剂
  3. Solvent by Type - Solvents
  4. Methanol - Solvent by Type
  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. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ureas - Carbonyl Compounds
  1. Functional Group 官能团索引
  2. isothiourea

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