3-Chloroperoxybenzoic Acid 3-氯过氧化苯甲酸

CAS 937-14-4 MFCD00002127

化学结构图

937-14-4
SMILES: O=C(OO)c1cccc(Cl)c1

化学属性

Mol. FormulaC7H5ClO3
Mol. Weight172.57
Density0.56
Melting Point>62ºC (dec.)
TSCAYes
Solubility不溶
Appearance 白色粉末状结晶。熔点92-94℃（分解）。几乎不溶于水，易溶于乙醇、醚类，溶于氯仿、二氯乙烷。对热稳定，室温下年分解率为1%以下。在液态时分解速率加快。
Stability对热敏感
RedoxOxidation
Boiling Point

别名和识别编码

Chemical Name3-Chloroperoxybenzoic Acid
CAS Number937-14-4
Synonym 3-Chloroperbenzoic Acid (Technical Grade, wet with water) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number213-322-3
Beilstein Registry Number9(4)972
MDL NumberMFCD00002127
PubChem Substance ID87565489
Reaxys-RN608317
Chemical Name Translation3-氯过氧化苯甲酸
Wiswesser Line NotationQOVR CG
LabNetwork Molecule IDLN00195328
InChIInChI=1S/C7H5ClO3/c8-6-3-1-2-5(4-6)7(9)11-10/h1-4,10H
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分类

  • {SA} Chemical Synthesis, Oxidizing Agents, Peroxy Acids and Salts, Synthetic Reagents
  • Aromatics
  • {SNA} Chemical Synthesis, Oxidizing Agents, Peroxy Acids and Salts, Synthetic Reagents
  • {SNA} Chemical Reagents, Chemical Synthesis, Development Quantities for Research, Oxidizing Agents, Peroxy Acids and Salts, Synthetic Reagents

产品应用

  • 它广泛用于环化反应，如碳-碳双键发生立体反应；Baeyer-Villiger氧化反应，如羰基化合物与过氧酸反应生成酯等；N-氧化反应，如胞嘧啶，胞啶用它反应可分别得到收率21.4%和41%的N-氧化物.它也可作为合成医药，农药等精细化工产品的 氧 化剂使用；另外有时也用作漂白剂。

相关文献及参考

  • Sulfides can be oxidized selectively either to sulfoxides or sulfones: Tetrahedron, 22, 1235 (1966); J. Chem. Soc. (C), 2720 (1969); J. Org. Chem., 35, 2106 (1970).
  • Reagent for epoxidation of alkenes: J. Org. Chem., 29, 1976 (1964). Dichloromethane has been recommended as solvent for these reactions, since the peracid is soluble, but the by-product, 3-chlorobenzoic acid, is almost insoluble. For high-yield, stereospecific epoxidation in a two-phase, almost neutral system, see: J. Org. Chem., 44, 1351 (1979). For regioselective epoxidation of the more substituted double bond of a diene, see: Org. Synth. Coll., 5, 467 (1973). For epoxidation in aqueous solution followed by in situ hydrolysis to the trans-diol by 10% sulfuric acid, see: Synth. Commun., 19, 1939 (1989).
  • Beilstein:9(4)972
  • Primary aliphatic amines are oxidized to nitro-compounds: J. Org. Chem., 31, 524 (1966). Good yields are obtained in 1,2-dichloroethane solution: J. Org. Chem., 44, 659 (1979); 54, 2869 (1989).
  • For the stereospecific oxidation of imines to oxaziridines under phase-transfer conditions, see: Org. Synth. Coll., 8, 546 (1993):
  • Perfluorooxaziridines have been prepared using acetonitrile as solvent: J. Org. Chem., 58, 4754 (1993).
  • For a brief feature on uses of this reagent in Organic synthesis, see: Synlett, 664 (2007).
  • WARNING: The reagent has been reported to react exothermically with DMF: Org. Process Res. Dev., 6, 159 (2004).
  • Carbonyl compounds undergo the Baeyer-Villiger reaction to give esters or lactones: J. Org. Chem., 29, 2914 (1964). For an extensive review of the Baeyer-Villiger reaction, see: Org. React., 43, 251 (1993).

安全信息

Signal word
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；
  • 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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S17 Keep away from combustible material 远离可燃物料；
  • 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
  • R8 Contact with combustible material may cause fire 遇到易燃物会导致起火
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R5 Heating may cause an explosion 加热会引起爆炸
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R34 Causes burns 会导致灼伤
  • R7 May cause fire 会导致起火
  • R22 Harmful if swallowed 吞咽有害
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。
  • P220 Keep/Store away from clothing/…/combustible materials. 保持远离/贮存远离服装/....../可燃材料。
  • P234 Keep only in original container. 只保留在原来的容器中。
  • 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+P352+P312+P362+P364
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P410 Protect from sunlight. 防止阳光照射。
  • P411+P235
  • P412 Do not expose to temperatures exceeding 50 oC/ 122 oF. 不要暴露在超过50 oC / 122 oF的温度。
  • P420 Store away from other materials. 远离其他材料。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H242 Heating may cause a fire 加热可能会引起火灾
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
RTECSSD9470000
Packing GroupII
UN Number 2755/3106
Hazard Codes O,Xi,C
Storage condition +4°C 0-10 0-10°C 2-8°C 4 4℃ 储存温度2-8°C
Hazard Class5.2
Warnings 危化品目录(2015) 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 21 gm/kg/52W-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

Restrict 危险品

其他信息

  • 类别:氧化剂
  • 图谱信息:间氯过氧苯甲酸(937-14-4)红外图谱(IR2) 间氯过氧苯甲酸(937-14-4)质谱(MS) 间氯过氧苯甲酸(937-14-4)核磁图( 13 CNMR) 间氯过氧苯甲酸(937-14-4)红外图谱(IR
  • 用途二:本品中含间氯苯甲酸过氧化物为80%-85%，其余为间氯苯甲酸。它广泛用于环化反应、Baeyer-Villiger反应、N-氧化反应和S-氧化反应等。它可用作合成医药、农药等精细化工产品的氧化剂使用；另外，有时也用作漂白剂。
  • 下游产品:3,5-二甲基-4-氨基吡啶 --> 4,5-二氯-2-甲基吡啶 --> 2,5-二氯吡啶 --> 5-溴-2-羟甲基吡啶 --> 5-溴-2-吡啶甲醛 --> 4-氯
  • TCI Shanghai:3-氯过氧苯甲酸 3-Chloroperoxybenzoic Acid (contains ca. 30% Water),>;65.0%(T)(937-14-4)
  • 下游产品:3,5-二甲基-4-氨基吡啶 --> 4,5-二氯-2-甲基吡啶 --> 2,5-二氯吡啶 --> 5-溴-2-羟甲基吡啶 --> 5-溴-2-吡啶甲醛 --> 4-氯-2-甲磺酰基嘧啶 --> S-甲基-S-(2-甲基吡嗪基)亚磺酰亚胺 --> 7-[(氨苯基乙酰基)氨基]-3-氯-8-氧代-1-氮杂二环[4.2.0]辛-2-烯-2-羧酸水合物 --> 1,4-氧硫杂环己烷 亚磺酰亚胺 -->
  • 可燃性危险特性:易燃; 遇还原
  • Acros Organics:间氯过氧苯甲酸 3-Chloroperoxybenzoic acid, balance 3-Chlorobenzoic acid and water, 70-75%(937-14-4)
  • 方法一:在聚乙烯容器中，加入1.5g七水硫酸镁、36g氢氧化钠、360ml水、90ml30%双氧水、450ml二氧六环和冰块，使温度降至15℃，在激烈搅拌下，加入52.5g间氯苯甲酰氯，再加入冰块，维持温度在25℃以下。反应15min后，加入900ml20%冷硫酸。静置，分出有机层，过滤，滤液蒸出溶剂（高真空蒸馏），得51g3-氯过苯甲酸。
  • MOL 文件:937-14-4.mol
  • 上游原料:1,4-二氧六环 --> 硫酸镁 --> 聚乙烯 --> 3-氯苯甲酰氯
  • MSDS 信息:m-CPBA(937-14-4).msds
  • 下游产品:3,5-二甲基-4-氨基吡啶 --> 4,5-二氯-2-甲基吡啶 --> 2,5-二氯吡啶 --> 5-溴-2-羟甲基吡啶 --> 5-溴-2-吡啶甲醛 --> 4-氯-2-甲磺酰基嘧啶 --> S-甲基-S-(2-甲基吡嗪基)亚磺酰亚胺 --> 7-[(氨苯基乙酰基)氨基]-3-氯-8-氧代-1-氮杂二环[4.2.0]辛-2-烯-2-羧酸水合物 --> 1,4-氧硫杂环己烷 亚磺酰亚胺 --> 奥美拉唑 --> 他卡西妥 --> 8-羟基喹啉-2-甲腈 --> 4-氯-5-溴-2-甲磺酰基嘧啶 --> 丁基环氧乙烷 --> 2-甲基-5-溴吡啶 N-氧化物 --> 4-溴-7-氮杂吲哚 --> 硝基环己烷 --> 1，2-环氧-9-葵烯 --> 6-溴-1H-吡咯并[2,3-B]吡啶 --> 6-氯-1H-吡咯并[2,3-B]吡啶 --> 3-异色酮 --> 4-(甲基亚磺酰)苯酚 --> 4-氯-7-氮杂吲哚 --> 1,2-环氧环戊烷 --> 泮托拉唑 --> 3-亚硝基苯酰胺 --> 7-氧代-7-氮杂吲哚
  • 用途三:它广泛用于环化反应，如碳-碳双键发生立体反应；Baeyer-Villiger氧化反应，如羰基化合物与过氧酸反应生成酯等；N-氧化反应，如胞嘧啶，胞啶用它反应可分别得到收率21.4%和41%的N-氧化物.它也可作为合成医药，农药等精细化工产品的 氧 化剂使用；另外有时也用作漂白剂。
  • 间氯过氧苯甲
  • Sigma Aldrich:937-14-4(sigmaaldrich)
  • 检测方法:HPLC
  • 灭火剂:水、砂土
  • Alfa

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Oxidation - Synthetic Reagents
  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. Others 其他杂环
  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. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Oxidation - Synthetic Reagents
  4. Peroxides - Oxidation
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Oxidation - Synthetic Reagents
  4. Peroxy Acids and Salts - Oxidation
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic acids
  1. Functional Group 官能团索引
  2. hydroperoxide