3-Chloroperoxybenzoic Acid 3-氯过氧化苯甲酸
CAS 937-14-4 MFCD00002127
化学结构图
SMILES: O=C(OO)c1cccc(Cl)c1
化学属性
| Mol. Formula | C₇H₅ClO₃ |
|---|---|
| Mol. Weight | 172.57 |
| Density | 0.56 |
| Melting Point | >62ºC (dec.) |
| TSCA | Yes |
| 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 |
| Redox | Oxidation |
| Boiling Point |
别名和识别编码
| Chemical Name | 3-Chloroperoxybenzoic Acid |
|---|---|
| CAS Number | 937-14-4 |
| Synonym | 3-Chloroperbenzoic Acid (Technical Grade, wet with water) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {SNA} meta-Chloroperbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {JNK} m-Chloroperbenzoic acid |
| EC Number | 213-322-3 |
| Beilstein Registry Number | 9(4)972 |
| MDL Number | MFCD00002127 |
| PubChem Substance ID | 87565489 |
| Reaxys-RN | 608317 |
| Chemical Name Translation | 3-氯过氧化苯甲酸 |
| Wiswesser Line Notation | QOVR CG |
| LabNetwork Molecule ID | LN00195328 |
| InChI | InChI=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
GHS Symbol
- 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）；
- 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
- 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.....
- 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
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
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
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