m-Chloroperbenzoic acid
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m-Chloroperbenzoic acid
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CAS No:
937-14-4
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Formula:
C7H5ClO3
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Chemical Name:
m-Chloroperbenzoic acid
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Synonyms:
Benzenecarboperoxoic acid,3-chloro-;Peroxybenzoic acid,m-chloro-;3-Chlorobenzenecarboperoxoic acid;3-Chloroperbenzoic acid;3-Chloroperoxybenzoic acid;m-Chlorobenzoyl hydroperoxide;m-Chloroperoxobenzoic acid;MCPBA;m-Chloroperbenzoic acid;m-Chloroperoxybenzoic acid;m-Chloroperoxybenzoic acid;NSC 97094;3-Chlorobenzoperoxoic acid;Meta-chloroperoxybenzoic acid;3-Chlorobenzene-1-carboperoxoic acid
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CAS No:
Description
3-chloroperoxybenzoic acid is white powdery crystals. Melting point is 92-94°C (decomposed). It is almost insoluble in water, but soluble in ethanol, ethers, chloroform, and dichloroethane. It is thermally stable and has an annual decomposition rate of less than 1% at room temperature. The decomposition rate is accelerated in the liquid state. 3-Chloroperbenzoic acid is sensitive to heat and shock, and pure solid. 3-Chloroperbenzoic acid is flammable and potentially explosive. It contains a wea
This solid peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures. Its explosion hazard is also mitigated by mixing the peroxide in a solvent slurry.
This solid peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures. Its explosion hazard is also mitigated by mixing the peroxide in a solvent slurry.|3-chloroperbenzoic acid is a peroxy acid and a member of monochlorobenzenes.
m-Chloroperbenzoic acid Basic Attributes
172.56600
172.57
213-322-3
G203D4H1RB
97094
3106
DTXSID0061325
2916399090
Characteristics
46.53000
1.96980
White Moist Powder
0.56
93 °C (decomp)
305.5ºC at 760 mmHg
138.6ºC
1.571
H2O: insoluble
2-8ºC
No rapid reaction with air. No rapid reaction with water.
Halogenated Organic Compounds
Explosive
May explode from heat, shock, friction or contamination. May ignite combustibles (wood, paper, oil, clothing, etc.). May be ignited by heat, sparks or flames.
Safety Information
II
5.2
UN 2755/3106
3
R22; R34; R7
S17-S26-S36/37/39-S45
SD9470000
C
Strong oxidizing agent - contact with combustible material may cause fire. May be shock or heat sensitive. Incompatible with organic materials, strong reducing agents.
P210, P220, P234, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, P411, P420, P501
H242
UN 2755/3106
Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: May explode from heat or contamination. May ignite combustibles (wood, paper, oil, clothing, etc.). May be ignited by heat, sparks or flames. May burn rapidly with flare-burning effect. Containers may explode when heated. Runoff may create fire or explosion hazard. (ERG, 2016)
|Danger|H226 (64.29%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P220, P221, P233, P234, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P280, P283, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P306+P360, P310, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P370+P378, P371+P380+P375, P403+P233, P403+P235, P405, P411, P420, and P501|Aggregated GHS information provided by 56 companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: SMALL FIRE: Water spray or fog is preferred; if water not available use dry chemical, CO2 or regular foam. LARGE FIRE: Flood fire area with water from a distance. Use water spray or fog; do not use straight streams. Do not move cargo or vehicle if cargo has been exposed to heat. Move containers from fire area if you can do it without risk. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2016)
Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. LARGE SPILL: Consider initial evacuation for at least 250 meters (800 feet) in all directions. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)
Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Keep combustibles (wood, paper, oil, etc.) away from spilled material. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Keep substance wet using water spray. Stop leak if you can do it without risk. SMALL SPILL: Pick up with inert, damp, non-combustible material using clean, non-sparking tools and place into loosely covered plastic containers for later disposal. LARGE SPILL: Wet down with water and dike for later disposal. Prevent entry into waterways, sewers, basements or confined areas. DO NOT CLEAN-UP OR DISPOSE OF, EXCEPT UNDER SUPERVISION OF A SPECIALIST. (ERG, 2016)
Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing will only provide limited protection. (ERG, 2016)
Drug Information
Electron-accepting molecules in chemical reactions in which electrons are transferred from one molecule to another (OXIDATION-REDUCTION). (See all compounds classified as Oxidants.)|Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)
Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: Fire may produce irritating, corrosive and/or toxic gases. Ingestion or contact (skin, eyes) with substance may cause severe injury or burns. Runoff from fire control or dilution water may cause pollution. (ERG, 2016)
Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. Contaminated clothing may be a fire risk when dry. Remove material from skin immediately. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Keep victim calm and warm. (ERG, 2016)
3-chloroperbenzoic acid
m-Chloroperbenzoic acid Use and Manufacturing
1. This product contains 80%-85% m-chlorobenzoic acid peroxide and the rest is m-chlorobenzoic acid. It is widely used in cyclization reaction, Baeyer-Villiger reaction, N-oxidation reaction and S-oxidation reaction. It can be used as an oxidizer for fine chemicals such as synthetic medicine and pesticides; in addition, it is sometimes used as a bleaching agent. It can be used as oxidant bleach, etc. 2. M-chloroperbenzoic acid is a good electrophilic reagent that can react with many functional groups to oxidize olefins, enol silicon ethers, furans, sulfides, selenides and amino compounds. The weak OO bond in the oxidized m-CPBA of the functional group can react with the multi-electron substrate to transfer oxygen atoms to the substrate. Oxygen insertion reactions (Baeyer-Villiger oxidation reactions) occur in ketones and aldehydes. Organic peracids easily undergo epoxidation with olefins. This reaction is a cis-stereospecific reaction. The pH of acid-sensitive epoxides must be controlled with NaHCO3 or m-CPBA-KF reagents during synthesis. In the regioselective epoxidation of monoolefins, the reaction rate due to the electron-donating effect of alkyl groups is: tetra- and tri-substituted olefins> di-substituted olefins> mono-substituted olefins. A high regioselectivity (Equation 1) can be observed in the cycloaddition of diene with double bonds. The diastereoselective choice of cyclic olefins in the epoxidation of epoxidized allyl ethers because the allyl substitution hinders access to the reactants from the alpha plane. When the bulky Ot-Bu group is added to the allyl carbon It has a high stereoselectivity; and the epoxidation of unhindered methylenecyclohexane and similar compounds occurs preferentially in the direction of the vertical bond. The main product of allyl carbamate epoxidation is the cis structure (
Benzenecarboperoxoic acid, 3-chloro-: ACTIVE
Computed Properties
Molecular Weight:172.56
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:171.9927217
Monoisotopic Mass:171.9927217
Topological Polar Surface Area:46.5
Heavy Atom Count:11
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Price Analysis
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