2-Aminothiazole 2-氨基噻唑

CAS 96-50-4 MFCD00005325

化学结构图

96-50-4
SMILES: Nc1nccs1

化学属性

Mol. FormulaC3H4N2S
Mol. Weight100.14
Density1.346
Melting Point91-93°C
TSCAYes
Boiling Point117 °C at 15.002 mmHg
Solubility100 G/L (20 ºC)
Stability对光敏感
Flash Point117°C/15mm

别名和识别编码

Chemical Name2-Aminothiazole
CAS Number96-50-4
Alfabeta NameAMINOTHIAZOLE 2-
MDL NumberMFCD00005325
EC Number202-511-6
Beilstein Registry Number105738
Synonym Aminothiazole {LY} Aminothiazole {} {LY} Aminothiazole {} {} {LY} Aminothiazole {} {} {} {LY} Aminothiazole {} {} {} {} {LY} Aminothiazole {} {} {} {} {} {LY} Aminothiazole {} {} {} {} {} {} {LY} Aminothiazole {} {} {} {} {} {} {} {LY} Aminothiazole {} {} {} {} {} {} {} {} {LY} Aminothiazole {} {} {} {} {} {} {} {} {} {LY} Aminothiazole {} {} {} {} {} {} {} {} {} {} {LY} Aminothiazole {} {} {} {} {} {} {} {} {} {} {} {LY} Aminothiazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} Aminothiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Aminothiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Aminothiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Aminothiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Aminothiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Merck Number479
PubChem Substance ID87562204
Reaxys-RN105738
Chemical Name Translation2-氨基噻唑
Wiswesser Line NotationT5N CSJ BZ
LabNetwork Molecule IDLN00116018
InChIInChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
Canonical SMILESNC1=NC=CS1
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分类

  • {uni_hamburg} no charge; sulfur heterocycle; nitrogen heterocycle; aromatic; 5ring; 1fragment
  • {SNA} Building Blocks, C3 to C7, Chemical Synthesis, Heterocyclic Building Blocks, Thiazoles

产品应用

  • Usually used in the synthesis of 2-aminothiazole-modified silica gel,and aslo used in Ulmann coupling with 2-chlorobenzoic acids mediated by ultrasonic irradiation.

相关文献及参考

  • Merck: 14,479
  • Short: II/27B
  • Merck: 14,479 Beilstein:27(2)205
  • Short: III/35D3

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36 Irritating to eyes 刺激眼睛
  • R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
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。
  • 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。
  • 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。
  • P301+P312+P330
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSXJ2100000
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn Xn,Xi
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 {} {} {} {} {} {} {} {} {} {
UN Number 2811
{hazard_c

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 370 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - coma
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 30,71,1948

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 570 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(issue)/page/year: 211,367,1950

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 120 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - coma
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 30,71,1948

TYPE OF TEST

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 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            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Klebsiella pneumoniae
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 118,153,1983

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 1214 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 155,17,1985

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 3333 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 155,17,1985

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 557 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 155,17,1985

其他信息

  • 储运特性:库房通风低温干燥; 与硝酸, 硫酸分开存放
  • 用途三:有机合成。磺胺噻唑中间体,农药中间体。
  • Hazard Note:Irritant
  • 可燃性危险特性:可燃;高温产生有毒氮氧化物和硫氧化物烟雾
  • Sigma Aldrich:96-50-4(sigmaaldrich)
  • 检测方法:GC,NMR
  • 急性毒性:口服-大鼠 LD50: 480 毫克/公斤; 腹腔-小鼠 LD50: 200 毫克/公斤
  • 存储注意事项:氮气保护;光敏感
  • 溶于大多数常规有机溶剂,易溶于稀盐酸和20%硫酸,溶于热水,微溶于冷水、乙醇和乙醚,水中溶解度:100 g/L (20°C)。中等毒,半数致死量(大鼠,经口)480mg/kg。
  • Alfa Aesar:2-氨基噻唑,97% 2-Aminothiazole, 97%(96-50-4)
  • 用途一:用作医药、染料中间体
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 外观性质:白色至黄色晶体, 遇空气渐变暗褐色, 易升华。
  • 用途二:作医药中间体。用于有机合成。
  • MOL 文件:96-50-4.mol
  • MSDS 信息:2-氨基噻唑(96-50-4).msds
  • 海关编码:29341000
  • F:8-9
  • TCI Shanghai:2-氨基噻唑 2-Aminothiazole,>;98.0%(T)(96-50-4)
  • 图谱信息:2-氨基噻唑(96-50-4)质谱(MS) 2-氨基噻唑(96-50-4)核磁图( 1 HNMR) 2-氨基噻唑(96-50-4)核磁图( 13 CNMR) 2-氨基噻唑(96-50-4)红外图谱(IR1) 2-氨基噻唑(96-50-4)红外图谱(IR2)
  • 爆炸物危险特性:其硝酸混合物; 或其硝酸-硫酸混合物加热爆炸
  • 方法一:由硫脲与氯乙醛(或乙醇和氯气,或α,β二氯乙基乙醚)经环合而得。在反应器中加入热水、硫脲和α,β-二氯乙基乙醚。在搅拌下回流2h。冷却,经滴液漏斗加入氢氧化钠溶液,使溶液呈碱性,析出2-氨基噻唑晶体。然后加入乙醚使之溶解。分出醚层,用水洗涤后,以无水硫酸钠干燥,蒸出乙醚得粗品。用乙醇重结晶,得黄色晶体。产率为80%,熔点90℃。
  • Acros Organics:2-氨基噻唑 2-Aminothiazole, 97%(96-50-4)
  • 毒性分级:高毒
  • 上游原料:硫脲 --> 氯乙醛
  • 下游产品:2-(2-氨基噻唑-5-硫基)乙酸乙酯 --> 基本红 9 --> 2-氨基-5-硝基噻唑 --> 2-氨基-Α-((1-羧基-1-甲基乙氧)亚氨基)-4-噻唑乙酸 --> 3-亚氨基-Α-苯基-3-噻唑烷乙醇 --> 2-氨基-5-溴-噻唑氢溴酸盐 --> 2-醛基噻唑 --> 阳离子紫3BL
  • 2-氨基噻唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 C153895000 2-氨基噻唑;2-氨基-1,3-硫氮唑;2-氨基-1,3-硫氮杂茂 500g 1096元 2011/04/16 A0633 2-氨基噻唑 2-Aminothiazole 500G 1400元 2011/04/16 A0633 2-氨基噻唑 2-Aminothiazole 25G 218元
  • 类别:爆炸物品

系列性分类