概述规格名称和识别符技术文档高级数据系统学分类三维结构关联靶点（其它种属）作用机制质检证书（CoA,COO,BSE/TSE 和分析图谱) 化学和物理性质安全和危险性（GHS）此产品的引用文献技术文档和文章引用文献溶液计算器

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为什么选择此级别

提供 ≥85% 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。

🌡

储存与运输

2-8°C储存。低温运输,DG运输。请查阅批次 COA 获取详细规格。

📋

质量文档

SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。

📚

文献证明

在色谱分析、有机合成和交叉偶联反应领域已被 104 篇同行评审文献引用。

概述

几乎不溶于水，易溶于乙醇,醚类，溶于氯仿，二氯乙烷。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。用于使二、三和四取代烯烃环氧化的有效氧化剂。

应用：
3-氯过苯甲酸已用于从N-邻-甲苯基亚砜基-(E)-1-苯乙基亚胺至N-邻-甲苯磺酰(E)-1-苯乙基亚胺的氧化，其中使用二氯甲烷作为溶剂。它还用于制备单-和二-环氧-官能化的聚（3-羟基丁酸酯）基反应性聚合物。MCPBA还是一种有效的氧化剂，用于将α-酰胺取代的聚酯转化为具有可调节热属性的相应聚砜。
用于环氧化二-，三-和四-取代烯烃的有效氧化剂。

3-Chloroperbenzoic acid is a strong oxidizing agent mainly used for the epoxidation of alkenes and also in the Baeyer-Villiger oxidation of ketones to esters.

规格

别名

间氯过氧苯甲酸

英文别名

规格或纯度

≥85%

英文名称

3-Chloroperoxybenzoic acid(MCPBA)

储存条件

2-8°C储存

运输条件

低温运输,DG运输

纯度

≥85%

名称和识别符

PubChem SID

508808922

EC号

213-322-3

分子类型

小分子

IUPAC Name

3-chlorobenzenecarboperoxoic acid

INCHI

1S/C7H5ClO3/c8-6-3-1-2-5(4-6)7(9)11-10/h1-4,10H

InChi Key

NHQDETIJWKXCTC-UHFFFAOYSA-N

Smiles

C1=CC(=CC(=C1)Cl)C(=O)OO

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)OO

UN Number

3106

分子量

172.57

Beilstein号

608317

Reaxy-Rn

608317

Reaxys-RN link address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608317&ln=

技术文档

📋 安全数据表 (SDS)

全面的危险、操作、储存及法规合规文件。

下载 SDS →

✅ 分析证书 (COA)

批次质量数据。输入批号以获取对应 COA。

查询 COA →

📊 产品数据表

产品规格和应用的快速参考摘要。

查看数据表 →

🔬 规格说明书

该级别的完整质量属性和验收标准。

查看规格说明 →

高级数据

系统学分类

分类树（Taxonomy Tree）

界（kingdom) 有机化合物
- 超类（Superclass) 苯类化合物
  - 类（Class) 苯及其取代衍生物
    - 亚类（Subclass）苯甲酸及其衍生物
      - 第5级 (level 5) 卤代苯甲酸及其衍生物
        第6级 (level 6) 3-卤苯甲酸及其衍生物

界（kingdom)	有机化合物
超类（Superclass)	苯类化合物
类（Class)	苯及其取代衍生物
亚类（Subclass）	苯甲酸及其衍生物
中间层级节点（Intermediate Tree Nodes）	卤代苯甲酸及其衍生物
直接上位类(Direct Parent)	3-卤苯甲酸及其衍生物
其他上位类（Alternative Parents）	过氧苯甲酸及其衍生物苯甲酰衍生物氯苯类芳基氯化物过氧羧酸有机氢过氧化物羧酸盐过氧化物酶一元羧酸及其衍生物有机氯化物有机盐有机氧化物碳氢化合物衍生物
分子骨架（Molecular Framework)	芳香族同单环化合物
取代基（Substituents）	3-呋喃酮 - 芳香族同单环化合物 - 芳基氯化物 - 芳基卤化物 - 苯甲酰 - 羧酸衍生物 - 羧酸盐 - 氯苯 - 卤苯 - 烃衍生物 - 过氧化氢 - 单羧酸或其衍生物 - 有机氧化物 - 有机氧化合物 - 有机盐 - 有机氯化物 - 有机卤化物 - 有机氧化合物 - 过氧醇 - 过氧苯甲酸酯 - 过氧羧酸 - 过氧羧酸或其衍生物
描述（Description）	该化合物属于有机化合物中的3-卤代苯甲酸及其衍生物类。这类化合物在苯环3位带有卤素原子的苯甲酸或其衍生物。
外部描述符（External Descriptors）	monochlorobenzenes - peroxy acid

三维结构

交互式化学结构模型

球棍
棍棒
线框模型
空间填充
显示氢气
动画

关联靶点（其它种属）

Ptpn1 Protein-tyrosine phosphatase 1B (270 活性数据)

点击查看靶蛋白信息： Ptpn1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

化学和物理性质

密度

0.56

敏感性

对热敏感

熔点

69-71°C

分子量

172.560 g/mol

XLogP3

2.400

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

171.993 Da

单同位素质量Monoisotopic Mass

171.993 Da

拓扑极表面积Topological Polar Surface Area

46.500 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

149.000

同位素原子数Isotope Atom Count

定义的原子立体中心计数Defined Atom Stereocenter Count

未定义的原子立体中心计数Undefined Atom Stereocenter Count

定义的键立体中心计数Defined Bond Stereocenter Count

未定义的键立体中心计数Undefined Bond Stereocenter Count

所有立体化学键的总数The total count of all stereochemical bonds

共价键合单元计数Covalently-Bonded Unit Count

安全和危险性（GHS）

一般危化品

象形图

GHS03, GHS05, GHS07, GHS09

信号词

危险

危险声明

H226: 易燃液体和蒸气

H242: 加热可能会引起火灾

H271: 可能引起火灾或爆炸；强氧化剂

H302: 吞食有害

H314: 造成严重的皮肤灼伤和眼睛损伤

H315: 引起皮肤刺激

H317: 可能引起皮肤过敏反应

H318: 造成严重的眼睛损伤

H319: 引起严重眼睛刺激

H335: 可能引起呼吸道刺激

预防措施声明

P210: 远离热源，热表面，火花，明火和其他点火源。 - 禁止抽烟。

P220: 远离衣物和其他可燃物。

P233: 保持容器密闭。

P234: 仅保存在原始容器中

P235: 保持凉爽

P240: 地面/粘结容器和接收设备

P241: 使用防爆的[电气/通风/照明/.../]设备。

P242: 仅使用无火花的工具。

P243: 采取防静电措施

P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。

P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾

P264: 处理后要彻底洗手。

P270: 使用本产品时，请勿进食、饮水或吸烟。

P271: 仅在室外或通风良好的地方使用。

P272: 被污染的工作服不允许离开工作场所

P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。

P283: 穿着防火或阻燃服。

P321: 特殊处理（请参阅此标签上的...）。

P330: 漱口

P363: 再次使用之前，请清洗受污染的衣物。

P301+P330+P331: 如误吞咽：漱口。不要诱导呕吐。

P302+P352: 如皮肤沾染：用水充分清洗。

P303+P361+P353: 如皮肤（或头发）沾染：立即脱掉所有沾染的衣服。用水清洗皮肤/淋浴。

P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。

P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。

P306+P360: 如沾染衣服：立即用水充分冲洗沾染的衣服和皮肤，然后脱掉衣服。

P333+P313: 如发生皮肤刺激或皮疹：求医/就诊。

P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。

P370+P378: 火灾时：使用干砂、干粉或抗醇泡沫灭火。

P371+P380+P375: 在发生大火和大量泄漏：撤离现场。因有爆炸危险，须远距离救火。

P403: 存放在通风良好的地方。

P405: 密闭存放

P410: 防止阳光直射

P411: 储存温度不超过...°C / ...°F

P420: 分开存放。

P403+P233: 存放在通风良好的地方。保持容器密闭。

P403+P235: 存放在通风良好的地方。保持低温。

P501: 将内容物/容器处理到。。。

P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。

P301+P317: 如果被吞咽：请寻求医疗帮助。

P305+P354+P338: 如果进入眼睛：立即用水冲洗几分钟。取下隐形眼镜（如果有的话），并且操作简单。继续冲洗。

P317: 寻求紧急医疗救助。

P337+P317: 如果眼睛刺激持续：寻求医疗帮助。

P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。

P302+P361+P354: 如果接触皮肤：立即脱掉所有被污染的衣服。立即用水冲洗几分钟。

P316: 立即寻求紧急医疗救助。

P319: 如果你感到不适，请寻求医疗帮助。

WGK Germany

Class

5.2

个人防护装备

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

质检证书（CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):

输入批号以搜索分析图谱:

通过匹配包装上的批号来查找并下载产品的 COA，每批产品都进行了严格的验证，您可放心使用！

找到69个结果

批号(Lot Number)	证书类型	货号
G2622125	分析证书	C106492
G2622127	分析证书	C106492
G2622128	分析证书	C106492
H2615267	分析证书	C106492
H2615269	分析证书	C106492
H2615270	分析证书	C106492
H2615272	分析证书	C106492
B2626075	分析证书	C106492
G2601114	分析证书	C106492
G2601128	分析证书	C106492
C2618377	分析证书	C106492
C2618373	分析证书	C106492
C2618356	分析证书	C106492
C2618355	分析证书	C106492
L2516214	分析证书	C106492
L2516213	分析证书	C106492
L2516212	分析证书	C106492
L2516211	分析证书	C106492
J2509103	分析证书	C106492
L2501112	分析证书	C106492
I2518043	分析证书	C106492
G2530099	分析证书	C106492
G2530261	分析证书	C106492
F2519452	分析证书	C106492
F2519433	分析证书	C106492
B2510470	分析证书	C106492
B2510490	分析证书	C106492
B2510495	分析证书	C106492
K2405555	分析证书	C106492
K2405540	分析证书	C106492
K2405539	分析证书	C106492
A2506241	分析证书	C106492
K2405538	分析证书	C106492
E2407121	分析证书	C106492
E2407122	分析证书	C106492
E2407123	分析证书	C106492
E2407124	分析证书	C106492
I2402515	分析证书	C106492
A2409226	分析证书	C106492
A2409221	分析证书	C106492
A2409227	分析证书	C106492
J2308330	分析证书	C106492
J2308331	分析证书	C106492
J2308329	分析证书	C106492
E2308556	分析证书	C106492
E2308527	分析证书	C106492
E2308523	分析证书	C106492
E2308462	分析证书	C106492
C2307641	分析证书	C106492
C2307635	分析证书	C106492
C2307642	分析证书	C106492
C2307645	分析证书	C106492
B2301310	分析证书	C106492
B2301311	分析证书	C106492
K2217328	分析证书	C106492
K2217326	分析证书	C106492
K2217327	分析证书	C106492
I2221268	分析证书	C106492
I2221267	分析证书	C106492
G2216193	分析证书	C106492
G2216200	分析证书	C106492
G2216194	分析证书	C106492
G2216198	分析证书	C106492
F2216175	分析证书	C106492
F2216271	分析证书	C106492
B2212207	分析证书	C106492
B2212206	分析证书	C106492
B2212205	分析证书	C106492
B2212204	分析证书	C106492

显示更多⌵

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Baeyer-Villiger氧化

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Baeyer-Villiger Oxidation

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氯胺-T

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Experimental Assessment of Dibenzyl N,N-Diisopropylphosphoramidite for Alcohol O-Phosphorylation: Coupling, Oxidation, and Debenzylation

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小分子合成中的反应选择：从转化类型判断到实验路径筛选

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Reaction Selection in Small-Molecule Synthesis: From Transformation-Type Assessment to Experimental Route Screening

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从多类酮到三维螺环砌块：[1.1.1]Propellane 参与的酮环扩张反应设计

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螺环砌块酮类化合物

From Diverse Ketones to Three-Dimensional Spirocyclic Building Blocks: Reaction Design of [1.1.1]Propellane-Involved Ketone Ring Expansion

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氮杂三环烷烃的张力释放：三维氮杂桥环的桥位模块化官能团化与立体控制

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Strain Release of Azatricycloalkanes: Modular Bridge-Position Functionalization and Stereochemical Control of Three-Dimensional Bridged Aza Scaffolds

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硫杂环丁烷：可通过硫氧化态调控理化性质的潜力小环砌块

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–SO₂Me –SO₂CH₃

此产品的引用文献

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