2-Amino-4-methylbenzothiazole 2-氨基-4-甲基苯并噻唑

CAS 1477-42-5 MFCD00005793

化学结构图

1477-42-5
SMILES: Cc1cccc2sc(N)nc12

化学属性

Mol. FormulaC8H8N2S
Mol. Weight164.23
Density1.422
Melting Point137-139°C
TSCAYes
Solubility<0.1 G/100 ML AT 24 ºC
Stability对湿度敏感
Appearance 4-甲基-2-氨基苯并噻唑盐酸盐为白色疏松状结晶体，工业品含量为92％左右，m.p.220℃，能溶于水。盐酸盐粉尘对人体呼吸道有较强刺激。该盐酸盐与氢氧化钠中和得4-甲基-2-氨基苯并噻唑，工业品含量为95％左右，m.p.137～139℃，不溶于水。
Boiling Point322.0±35.0 °C at 760 mmHg

别名和识别编码

Chemical Name2-Amino-4-Methylbenzothiazole
CAS Number1477-42-5
EC Number216-028-3
Beilstein Registry Number129346
MDL NumberMFCD00005793
PubChem Substance ID15132
Synonym 4-Methylbenzo[d]thiazol-2-amine {LY} 4-Methylbenzo[d]thiazol-2-amine {} {LY} 4-Methylbenzo[d]thiazol-2-amine {} {} {LY} 4-Methylbenzo[d]thiazol-2-amine {} {} {} {LY} 4-Methylbenzo[d]thiazol-2-amine {} {} {} {} {LY} 4-Methylbenzo[d]thiazol-2-amine {} {} {} {} {} {LY} 4-Methylbenzo[d]thiazol-2-amine {} {} {} {} {} {} {LY} 4-Methylbenzo[d]thiazol-2-amine {} {} {} {} {} {} {} {LY} 4-Methylbenzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {LY} 4-Methylbenzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {LY} 4-Methylbenzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylbenzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylbenzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylbenzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylbenzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylbenzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation2-氨基-4-甲基苯并噻唑
Reaxys-RN129346
Wiswesser Line NotationT56 BN DSJ CZ H1
LabNetwork Molecule IDLN00001287
InChIInChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3,(H2,9,10)
Canonical SMILESNC1=NC2=C(C)C=CC=C2S1
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分类

  • {Chemicalbook} 农药中间体: 杀菌剂中间体: 其他类杀菌剂
  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Thiazoles

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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；
  • 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；
  • 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；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • 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+P312+P330
  • P301+P317
  • P330 Rinse mouth. 漱口
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSDL2275000
Storage condition RT, protect from light {LY} RT, protect from light {} {LY} RT, protect from light {} {} {LY} RT, protect from light {} {} {} {LY} RT, protect from light {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 697 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 105,486,1952

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 54 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 105,486,1952

其他信息

  • 图谱信息:2-氨基-4-甲基苯并噻唑(1477-42-5)核磁图( 13 CNMR) 2-氨基-4-甲基苯并噻唑(1477-42-5)红外图谱(IR1) 2-氨基-4-甲基苯并噻唑(1477-42-5)质谱(MS) 2-氨基-4-甲基苯并噻唑(1477-42-5)核磁图( 1 HNMR)
  • MSDS 信息:2-Amino-4-methylbenzothiazole(1477-42-5).msds
  • 储运特性:库房通风低温干燥
  • 用途一:用作医药、农药中间体
  • 用途二:4-甲基-2-氨基苯并噻唑是杀菌剂三环唑的中间体。
  • 毒性分级:中毒
  • 2-氨基-4-甲基苯并噻唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A1344 2-氨基-4-甲基苯并噻唑 2-Amino-4-methylbenzothiazole 25G 720元 2010/06/21 185770100 2-氨基-4-甲基苯并噻唑 2-Amino-4-methylbenzothiazole 98% 10 GR 490元 2010/05/25 A10822 2-氨基-4-甲基苯并噻唑, 98% 2-Amino-4-methylbenzothiazole, 98% 25g 728元
  • MOL 文件:1477-42-5.mol
  • TCI Shanghai:2-氨基-4-甲基苯并噻唑 2-Amino-4-methylbenzothiazole,>;98.0%(T)(1477-42-5)
  • Acros Organics:2-氨基-4-甲基苯并噻唑 2-Amino-4-methylbenzothiazole, 98%(1477-42-5)
  • Sigma Aldrich:1477-42-5(sigmaaldrich)
  • 方法一:其制备方法是在搪玻璃反应釜中投入三氯甲烷，在搅拌下投入邻甲基苯硫脲，升温进行共沸脱水，待水脱尽后，冷却至0～10℃，加入溴素，并在10～20℃范围内通入氯气进行闭环反应，逸出的氯化氢用水吸收，通氯气结束，将物料移至水解釜，缓慢升温到三氯甲烷的回流温度，反应液保温回流3h，然后投入一定量的水进行水解，保持55℃搅拌1h，然后静止分层，分出三氯甲烷蒸馏回收套用，分层后剩余物料升温蒸出三氯甲烷后放入油状物分离器分去油状物，水层被移入盐析釜，加盐析出4-甲基-2-氨基苯并噻唑盐酸盐。如果要得到4-甲基-2-氨基苯并噻唑，再移入中和釜加氢氧化钠中和，再抽滤干燥得成品。
  • 上游原料:盐酸 --> 三氯甲烷 --> 氯 --> 搪玻璃反应釜 --> N-邻甲苯基硫脲 --> 2-氨基苯并噻唑盐酸盐
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 可燃性危险特性:可燃;燃烧产生有毒氮氧化物和硫氧化物烟雾
  • 急性毒性:口服-小鼠LD50: 697 毫克/公斤; 静脉-小鼠LD50: 54 毫克/公斤
  • 下游产品:三环唑 --> 4-甲基-2-肼基苯并噻唑
  • 敏感性:Moisture Sensitive
  • Alfa Aesar:2-氨基-4-甲基苯并噻唑,98% 2-Amino-4-methylbenzothiazole, 98%(1477-42-5)
  • 类别:有毒物品

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiazines 噻嗪
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiazoles 噻唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiazoles 噻唑
  5. C8 to C9 - Thiazoles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Benzothiazoles 苯并噻唑