Peroxybenzoic acid 过氧化氢苯甲酰

CAS 93-59-4 MFCD00216871

化学结构图

93-59-4
SMILES: O=C(OO)c1ccccc1

化学属性

Mol. FormulaC7H6O3
Mol. Weight138.13
Solubility微溶于水,不溶于甲醇,溶于乙醇、乙醚、氯仿。

别名和识别编码

Chemical NamePeroxybenzoic acid
Synonym 过苯甲酸 Benzenecarboperoxoic acid 過氧苯甲酸 Kyselina perbenzoova Benzoyl hydroperoxide Perbenzoic acid Benzoylhydrogen peroxide peroxybenzoic acid BzPo 過氧苄酸 perbenzoic acid Kyselina peroxybenzoova 过氧化氢苯甲酰
Chemical Name Translation过氧化氢苯甲酰
CAS Number93-59-4
Wiswesser Line NotationQOVR
Beilstein Registry Number1210120
PubChem Substance ID523077
InChIInChI=1S/C7H6O3/c8-7(10-9)6-4-2-1-3-5-6/h1-5,9H
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; organic peroxide; carboxylic peracid; 1fragment

相关文献及参考

  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 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), carbon-13 (subvol. D), and oxygen-17 (subvol. E) 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 CD-ROM's.
  • Short: LC Title: LiqCryst 4.6 - Database of Liquid Crystals Author: Vill, V. Year: 2005 Keyword: Flüssigkristalle; LCD; Phasenumwandlung Internet Resource: http://liqcryst.chemie.uni-hamburg.de/
  • 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

UN Number 3104
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1040 mg/kg/26W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
   Tumorigenic - tumors at site of application
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   55,1359,1975

RTECSSD9280000
Restrict 易制爆

其他信息

  • 外观性质:无色或白色棱柱形结晶体。
  • PackingGroup:II
  • HazardClass:5.2
  • 用途:用于有机合成,将乙烯化合物转化为氧化物,还用于不饱和化合物分析、双键数的测定。例如,将过苯甲酸乙酸乙酯溶液与2,6-二氨基-4-氯嘧啶混合,在10℃以下反应4h,碱经后即过滤得到6-氨基-1,2-二氢-1-羟基-2-亚氨基-4-氯嘧啶。
  • 生产方法:由过氧苯甲酰与双氧水进行氧化而得。
  • MOL 文件:93-59-4.mol

系列性分类


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