2-Benzoxazolinone 2-苯并噁唑酮

CAS 59-49-4 MFCD00005716

化学结构图

59-49-4
SMILES: O=c1[nH]c2ccccc2o1

化学属性

Mol. FormulaC7H5NO2
Mol. Weight135
Melting Point139.0 to 142.0 deg-C
Flash Point160°(320°F)
TSCAYes
Solubility溶于热水
Appearance 本品为浅黄色固体，m.p.140～142℃，不溶于水，溶于苯、氯苯等溶剂。
Density1.323

别名和识别编码

Chemical Name2-Benzoxazolinone
CAS Number59-49-4
Alfabeta NameBENZOXAZOLINONE 2-
MDL NumberMFCD00005716
Synonym 2-hydroxy-benzoxazol AKOS B029757 苯骈恶唑酮;2-羟基苯并恶唑 2-Hydroxybenzoxazole 2-羟基苯并噁唑 o-Phenylenecarbamate 2-Benzoxazolol 苯并恶唑酮 2-苯并唑酮,98% 2-BENZOXAZOLONE 2-苯并恶唑啉酮 苯并【口+咢】唑酮 2-HYDROXYBENZOXAZOLE 2,3-Dihydro-2-oxo-1,3-benzoxazole 2-苯并噁唑啉酮 苯骈恶唑啉酮 2,3-DIHYDRO-1,3-BENZOXAZOL-2-ONE 2-Benzoxaxolol USAF ek-5429 1,3-BENZOXAZOL-2(3H)-ONE Carbamic acid, (2-hydroxyphenyl)-, gamma-lactone USAF EK-5429 2-苯并唑啉酮 2(3H)benzoxazolinone 2(3H)-苯并恶唑酮 LABOTEST-BB LT01409074 BENZOXAZOLONE
PubChem Substance ID87563531
EC Number200-430-0
Beilstein Registry Number27(2)223
Chemical Name Translation2-苯并噁唑酮
Reaxys-RN119481
Wiswesser Line NotationT56 BMVOJ
LabNetwork Molecule IDLN00174487
InChIInChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; carbamate; 1fragment
  • {SNA} B, Bioactive Small Molecules, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Oxazoles, 细胞生物学
  • {SNA} B, Bioactive Small Molecules, Building Blocks, Cell Biology, Chemical Synthesis, Heterocyclic Building Blocks, Oxazoles
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Oxazoles
  • {Chemicalbook} 农药中间体: 除草剂中间体: 苯氧羧酸类和芳氧基苯氧基羧酸类除草剂

相关文献及参考

  • Short: III/39 Title: Nuclear Quadrupole Resonance Spectroscopy Data Author: Chihara, H.; Nakamura, N. Editor: Chihara, H. Source: Landolt-Börnstein, New Series Volume: III/39 Year: 1997 Keyword: NQR; spectroscopy ISBN: 3-540-62428-7 ISBN: 978-3-540-62428-8 Internet Resource: DOI:10.1007/b61951 RefComment: VIII, 424 pages. Hardcover Abstract: Volume III/39 continues the compilation of nuclear quadrupole resonance spectroscopy data of solid substances which started in with volumes III/20 and III/31. The literature from the beginning of nuclear quadrupole resonance spectroscopy in 1951 to 1996 is covered. In total there are more than 10.000 substances in the volumes, showing the scope and significance of nuclear quadrupole resonance spectroscopy up to recent times. Volume III/39 can be consulted without recourse to its predecessor because the complete introduction and general tables are repeated from III/20 and III/31.
  • 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 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard statements
  • H332 Harmful if inhaled 吸入有害
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H302+H332
  • H302+H312+H332
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSDM4905000
Precautionary statements
  • P304+P340+P312
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
Signal word
Safety Statements
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
Hazard Codes Xn
Packing GroupIII
UN Number 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 700 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   MDCHAG Medicinal Chemistry: A Series of Monographs.  (Academic Press, Inc.,
   1 E. First St., Duluth, MN 55802)  V.1-    1963-  Volume(issue)/page/year:
   4(1),341,1964

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

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 3892 mg/m3
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - excitement
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 31(8),36,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 554 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - excitement
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-

其他信息

  • 可燃性危险特性:可燃; 燃烧产生有毒氮氧化物烟雾
  • 上游原料:2-氨基苯酚
  • 毒性分级:中毒
  • 下游产品:2,6-二氯苯并噁唑
  • 急性毒性:口服-大鼠 LD50: 700 毫克/公斤; 口服-小鼠 LD50;554 毫克/公斤
  • Alfa Aesar:2-苯并唑酮,98% 2-Benzoxazolinone, 98%(59-49-4)
  • MSDS 信息:2,3-Dihydro-1,3-benzoxazol-2-one(59-49-4).msds
  • 用途一:用于生产染料及合成中间体
  • 储运特性:通风低温干燥
  • 方法一:其制备方法是在反应釜中加入邻氨基苯酚、尿素以及溶剂氯苯，用氮气保护，反应温度50～132℃，反应时间6h，反应结束后用冰盐水冷却，结晶，过滤得成品。 也可以用邻氨基苯酚在溶剂氯苯中与光气反应，在20～40℃以内快速通入光气，然后升温到100～130℃，再以较低速度通光气，反应完毕通氮气赶光气，进行后处理，也可得到2-苯并嗯唑酮。
  • 用途二:2-苯并嗯唑酮是杀虫剂伏杀硫磷和除草剂噁唑禾草灵的中间体。
  • MOL 文件:59-49-4.mol
  • 2-苯并唑啉酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0506 2-苯并恶唑酮 2-Benzoxazolinone 25G 480元 2010/06/21 169080250 2-苯并唑啉酮 2-Benzoxazolinone 98% 25 GR 590元 2010/06/21 169085000 2-苯并唑啉酮 2-Benzoxazolinone 98% 500 GR 5667元
  • Acros Organics:2-Benzoxazolinone, 98%(59-49-4)
  • 图谱信息:2-苯并唑啉酮(59-49-4)红外图谱(IR2) 2-苯并唑啉酮(59-49-4)红外图谱(IR1) 2-苯并唑啉酮(59-49-4)质谱(MS) 2-苯并唑啉酮(59-49-4)核磁图( 13 CNMR) 2-苯并唑啉酮(59-49-4)红外图谱(IR3)
  • TCI Shanghai:2-苯并唑酮 2-Benzoxazolinone,>;98.0%(GC)(T)(59-49-4)
  • Sigma Aldrich:59-49-4(sigmaaldrich)
  • Hazard Note:Harmful
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 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. Isoxazoles 异恶唑
  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. Oxadiazoles 恶二唑
  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. Oxazoles 恶唑
  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. Oxazoles 恶唑
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Catalysts for Organic Synthesis 有机合成催化剂
  4. Cobalt

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