2-Methylbenzo[d]oxazole 2-甲基苯并恶唑

CAS 95-21-6 MFCD00005771

化学结构图

95-21-6
SMILES: Cc1nc2ccccc2o1

化学属性

Mol. FormulaC8H7NO
Mol. Weight133
Refractive index1.5470 to 1.5510
Boiling Point201°C(lit.)
Density1.121 g/mL at 25 °C(lit.)
Melting Point5-10 °C (lit.)
Flash Point75°C(lit.)
TSCAYes
Solubility不溶于水,溶于醇。

别名和识别编码

Chemical Name2-Methylbenzo[d]oxazole
MDL NumberMFCD00005771
CAS Number95-21-6
Synonym METHYLBENZOXAZOLE {uni_hamburg} 2-METHYLBENZODOXAZOLE TABAXOL 2-Methyl-1,3-benzoxazole 2-甲基苯并噁唑 2-methyl-benzoxazole 2-Methylbenzoxazol 2-甲基-1,3-苯并噁唑 2-甲基-4,5-苯并噁唑 3-(2-Bromophenyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole Benzoxazole, 2-methyl- 2-甲基苯并恶唑 2-甲基苯并噻唑 2-甲基-4,5-苯并噁唑 2-Methyl-1,3-benzoxazol 2-甲基苯并唑,99% 2-Methylbenzoxazole 3-(2-Bromophenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole 4-Methyl-4,5-benzooxazol 1-ACETYLIDENE-O-AMINOPHENOL USAF EK-982 2-Methyl-benzooxazole usafek-982 2-甲基苯并氧氮唑 2-甲基 3-(3-Bromophenyl)-1,2,4-oxadiazole
PubChem Substance ID87572589
EC Number202-399-9
Beilstein Registry Number27,46
Reaxys-RN112297
Chemical Name Translation2-甲基苯并恶唑
Wiswesser Line NotationT56 BN DOJ C1
InChIInChI=1S/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
LabNetwork Molecule IDLN00225646
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分类

  • {SNA} Alphabetical Listings, Flavors and Fragrances, M-N
  • {uni_hamburg} no charge; oxygen heterocycle; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Oxazoles

相关文献及参考

  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 I

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H227 Combustible liquid 可燃液体
  • 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 Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSDM4850000
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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+P312+P362+P364
  • P304+P340+P312
  • P305+P351+P338+P337+P313
  • P332+P313
  • P337+P313
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
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
  • 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
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;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • 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;
Hazard Codes Xn Xn,Xi
UN Number UN 1760 1760
Storage condition 0-10 0-10°C Refrigerator
Packing GroupIII
Hazard Class8
TYPE OF TEST            : LD40 - Lethal Dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JACSAT Journal of the American Chemical Society.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
   20037)  V.1-    1879-  Volume(issue)/page/year: 67,905,1945

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 400 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

其他信息

  • 外观性质:黄色液体。
  • MSDS 信息:2-甲基苯并恶唑(95-21-6).msds
  • FEMA:4398
  • 用途一:用于染料、医药及有机化合物的合成
  • Acros Organics:2-甲基苯并恶唑 2-Methylbenzoxazole, 99%(95-21-6)
  • F:8
  • TCI Shanghai:2-甲基苯并恶唑 2-Methylbenzoxazole,>;99.0%(GC)(95-21-6)
  • 存储注意事项:氮气保护
  • 图谱信息:2-甲基苯并唑(95-21-6)红外图谱(IR3) 2-甲基苯并唑(95-21-6)核磁图( 1 HNMR) 2-甲基苯并唑(95-21-6)质谱(MS) 2-甲基苯并唑(95-21-6)红外图谱(IR1) 2-甲基苯并唑(95-21-6)红外图谱(IR2) 2-甲基苯并唑(95-21-6)核磁图( 13 CNMR)
  • Sigma Aldrich:95-21-6(sigmaaldrich)
  • MOL 文件:95-21-6.mol
  • Alfa Aesar:2-甲基苯并唑,99% 2-Methylbenzoxazole, 99%(95-21-6)
  • 海关编码:29349990
  • 2-甲基苯并唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0557 2-甲基苯并恶唑 2-Methylbenzoxazole 500G 2850元 2014/06/02 M0557 2-甲基苯并恶唑 2-Methylbenzoxazole 25G 393元 2010/06/21 148850250 2-甲基苯并唑 2-Methylbenzoxazole 99% 25 ML 255元

系列性分类


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