2-Methylbenzimidazole 2-甲基苯并咪唑

CAS 615-15-6 MFCD00005598

化学结构图

615-15-6
SMILES: Cc1nc2ccccc2[nH]1

化学属性

Mol. FormulaC8H8N2
Mol. Weight132.17
Density1.422
Melting Point175-177°C
TSCAYes
Solubility略溶于水
Appearance 针状结晶体。熔点176-177℃。溶于醇、醚、热水及氢氧化钠溶液,不溶于苯。
Boiling Point339.4°C at 760 mmHg

别名和识别编码

Chemical Name2-Methylbenzimidazole
Synonym 2-Methyl-1H-benzo[d]imidazole {LY} 2-Methyl-1H-benzo[d]imidazole {} {LY} 2-Methyl-1H-benzo[d]imidazole {} {} {LY} 2-Methyl-1H-benzo[d]imidazole {} {} {} {LY} 2-Methyl-1H-benzo[d]imidazole {} {} {} {} {LY} 2-Methyl-1H-benzo[d]imidazole {} {} {} {} {} {LY} 2-Methyl-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-1H-benzo[d]imidazole {} {} {} {} {} {} {} {LY} 2-Methyl-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-1H-benzo
MDL NumberMFCD00005598
CAS Number615-15-6
EC Number210-411-9
Beilstein Registry Number112264
PubChem Substance ID87572363
Alfabeta NameMETHYLBENZIMIDAZOLE H21---
Reaxys-RN112264
Chemical Name Translation2-甲基苯并咪唑
Wiswesser Line NotationT56 BM DNJ C1
InChIKeyLDZYRENCLPUXAX-UHFFFAOYSA-N
LabNetwork Molecule IDLN00184392
InChIInChI=1S/C8H8N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3,(H,9,10)
Canonical SMILESCC1=NC2=CC=CC=C2N1
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分类

  • {SNA} Benzimidazoles, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks
  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment

相关文献及参考

  • Beilstein:23,145
  • Short: EINECS
  • Short: III/35D3

安全信息

Signal word Danger 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;
  • S37 Wear suitable gloves 戴适当手套;
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置;
  • S44 None 如果你感觉不适,征求医生意见(可能时出示标签);
  • 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);
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R22 Harmful if swallowed 吞咽有害
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
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
  • P301+P312+P330
  • 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.....
RTECSDD9100000
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
Warnings IRRITANT
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 500 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: 5,22,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 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            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 250 ug/plate
REFERENCE :
   CHIMAD Chimia.  (Postfach 2027, CH-4001 Basel, Switzerland)  V.1-    1947-
   Volume(issue)/page/year: 27,68,1973

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 500 nmol/plate
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 22,981,1979

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 46 gm/kg
SEX/DURATION            : multigenerations
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   APTOD9 Abstracts of Papers, Society of Toxicology.  Annual Meetings.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)
   Volume(issue)/page/year: 19,A91,1980

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 下游产品:维生素 B12
  • 微溶于水,溶于乙醇、乙醚。
  • 方法一:由邻苯二胺与乙酸环合而成。将邻苯二胺与乙酸的混合物在100℃加热2h,冷却后缓缓加入10%的氢氧化钠溶液,使混合物刚至碱性。过滤,用冷水洗涤。将此粗品用水重结晶,活性炭脱色,即得成品。收率为68%。
  • 图谱信息:2-甲基苯并咪唑(615-15-6)质谱(MS) 2-甲基苯并咪唑(615-15-6)核磁图( 1 HNMR) 2-甲基苯并咪唑(615-15-6)红外图谱(IR1) 2-甲基苯并咪唑(615-15-6)核磁图( 13 CNMR) 2-甲基苯并咪唑(615-15-6)红外图谱(IR2)
  • Alfa Aesar:2-甲基苯并咪唑,98% 2-Methylbenzimidazole, 98%(615-15-6)
  • MOL 文件:615-15-6.mol
  • Acros Organics:2-Methylbenzimidazole, 98%(615-15-6)
  • 用途二:用于有机合成。
  • 用途一:用于医药中间体
  • 海关编码:29339990
  • 上游原料:1,2-苯二胺
  • TCI Shanghai:2-甲基苯并咪唑 2-Methylbenzimidazole,>;98.0%(GC)(T)(615-15-6)
  • Sigma Aldrich:615-15-6(sigmaaldrich)
  • 2-甲基苯并咪唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0286 2-甲基苯并咪唑 2-Methylbenzimidazole 25G 292元 2014/06/02 M0286 2-甲基苯并咪唑 2-Methylbenzimidazole 250G 1760元 2010/06/21 126330050 2-甲基苯并咪唑 2-Methylbenzimidazole 98% 5 GR 249元
  • 检测方法:HPLC,NMR
  • MSDS 信息:2-Methyl-1H-benzo[d]imidazole(615-15-6).msds
  • 2-甲基苯并咪唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 M0286 2-甲基苯并咪唑 2-Methylbenzimidazole 25G 337元 2011/04/16 M0286 2-甲基苯并咪唑 2-Methylbenzimidazole 250G 1820元 2010/06/21 126330050 2-甲基苯并咪唑 2-Methylbenzimidazole 98% 5 GR 249元

系列性分类


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