2-Aminobenzothiazole 2-氨基苯并噻唑

CAS 136-95-8 MFCD00005785

化学结构图

136-95-8
SMILES: Nc1nc2ccccc2s1

化学属性

Mol. FormulaC7H6N2S
Mol. Weight150.20
Density1.383
Melting Point126-129°C
TSCAYes
Solubility<0.1 G/100 ML AT 19 ºC
Stability对光敏感
Boiling Point190-195 °C at 0.05 mmHg

别名和识别编码

Chemical Name2-Benzothiazolamine
CAS Number136-95-8
Alfabeta NameAMINOBENZOTHIAZOLE 2-
MDL NumberMFCD00005785
EC Number205-268-4
Beilstein Registry Number27(2)225
Merck Number424
Synonym Benzo[d]thiazol-2-amine {LY} Benzo[d]thiazol-2-amine benzo(d)thiazol-2-amine {} {LY} Benzo[d]thiazol-2-amine {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]thiazol-2-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}
PubChem Substance ID8706
Reaxys-RN116315
Chemical Name Translation2-氨基苯并噻唑
Wiswesser Line NotationT56 BN DSJ CZ
LabNetwork Molecule IDLN00002679
Canonical SMILESNC1=NC2=CC=CC=C2S1
InChIInChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
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分类

  • {SNA} Ion Sensor Materials, Ionophores Potentiometric for ISE, 分析/色谱
  • {SNA} Analytical/Chromatography, Ion Sensor Materials, Ionophores Potentiometric for ISE
  • {SNA} Building Blocks, C3 to C7, Chemical Synthesis, Heterocyclic Building Blocks, Thiazoles

产品应用

  • 染料中间体。也是其他有机合成的原料。

相关文献及参考

  • Merck: 14,424 Beilstein:27(2)225
  • Merck: 14,424

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany2
Safety Statements
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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。
  • P264+P265
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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
  • P301+P312+P330
  • P301+P317
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • P337+P317
  • 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
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSDL1050000
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn Xn,Xi
Packing GroupIII
UN Number UN 2811 6.1/PG 3
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 126 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       : 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            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRMCE8 Farmaco. (Societa Chimica Italiana, Corso Strada Nova, 86, Casella
   Postale 227, 27100 Pavia, Italy)  V.44-   1989-  Volume(issue)/page/year:
   45,223,1990

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 2500 ug/plate
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   23,695,1985

其他信息

  • 毒性分级:中毒
  • 2-氨基苯并噻唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30007580 2-氨基苯并噻唑;2-苯并噻唑胺 10g 188.4元 2011/04/16 A0277 2-氨基苯并噻唑 2-Aminobenzothiazole 25G 196元 2011/04/16 A0277 2-氨基苯并噻唑 2-Aminobenzothiazole 500G 1210元
  • Hazard Note:Irritant
  • 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
  • 类别:有毒物品
  • TCI Shanghai:2-氨基苯并噻唑 2-Aminobenzothiazole,>;97.0%(LC)(T)(136-95-8)
  • Sigma Aldrich:136-95-8(sigmaaldrich)
  • 上游原料:二氯化二硫 --> 苯基硫脲
  • 用途三:染料中间体。用于生产阳离子紫3RL,还用合成3-甲基苯并噻唑腙用于生产阳离子紫2RL等,也是其他有机合成的原料。
  • 用途一:用作医药、染料中间体
  • 下游产品:2-溴苯并噻唑 --> 阳离子艳蓝RL
  • 海关编码:29342080
  • 储运特性:库房通风低温干燥
  • 用途二:用于有机合成
  • 外观性质:小叶状结晶。在蒸馏时不分解。易溶于乙醇、乙醚和氯仿,溶于浓酸,极微溶于水。半数致死量(小鼠,静脉)126mg/kg。有刺激性。 熔点:130℃
  • MOL 文件:136-95-8.mol
  • 在蒸馏时不分解。易溶于乙醇、乙醚和氯仿,溶于浓酸,极微溶于水。半数致死量(小鼠,静脉)126mg/kg。有刺激性。
  • 检测方法:HPLC,NMR
  • Alfa Aesar:2-氨基苯并噻唑,98% 2-Aminobenzothiazole, 98%(136-95-8)
  • Acros Organics:2-氨基苯并噻唑 2-Aminobenzothiazole, 97%(136-95-8)
  • 急性毒性:口服-小鼠LD50: 1000 毫克/公斤; 腹腔-小鼠 LD50: 200 毫克/公斤
  • 方法一:由苯基硫脲与氯化硫反应得到。先将无水氯仿吸入搪玻璃锅中,于搅拌下加入苯基硫脲,慢慢升温到60-63℃,蒸出含水氯仿,冷却至40℃加入氯化硫,气相温度不高于40℃,以免物料结块。加完后4h逐步升温至61℃,在61-64℃回流反应10h。然后将其排到盛有一定水量和活性炭的蒸馏锅中,用直接蒸汽蒸馏回收氯仿到液相温度为98℃,并维持15min。回收完毕,加水稀释,加冰冷却,加液碱中和至pH值为4.1,再加活性炭后搅拌。冷却、抽滤,滤液用30%液碱中和至pH值为7.0-7.6,然后冷却到35-40℃,压滤、烘干(温度不超过80℃)即得成品。熔点128-130℃,收率74.4%。
  • 图谱信息:2-氨基苯并噻唑(136-95-8)红外图谱(IR1) 2-氨基苯并噻唑(136-95-8)核磁图( 1 HNMR) 2-氨基苯并噻唑(136-95-8)红外图谱(IR2) 2-氨基苯并噻唑(136-95-8)质谱(MS) 2-氨基苯并噻唑(136-95-8)核磁图( 13 CNMR)
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • MSDS 信息:2-Benzothiazolamine(136-95-8).msds

系列性分类