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| CAS No.: | 937-14-4 |
|---|---|
| Name: | 3-Chloroperoxybenzoic acid |
| Article Data: | 25 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H5ClO3 |
| Molecular Weight: | 172.568 |
| Synonyms: | Peroxybenzoicacid, m-chloro- (7CI,8CI);3-Chlorobenzenecarboperoxoic acid;3-Chloroperbenzoic acid;m-Chlorobenzoyl hydroperoxide;m-Chloroperbenzoic acid;m-Chloroperoxobenzoicacid;m-Chloroperoxybenzoic acid; |
| EINECS: | 213-322-3 |
| Density: | 1.435 g/cm3 |
| Melting Point: | 69-71 °C(lit.) |
| Boiling Point: | 305.5 °C at 760 mmHg |
| Flash Point: | 138.6 °C |
| Solubility: | insoluble in water |
| Appearance: | white powder |
| Hazard Symbols: |
 O, Xi, C
|
| Risk Codes: | 5-8-36/37/38-43-7-34-22 |
| Safety: | 17-26-36/37-45-36/37/39-3/7-14-27-7/9 |
| Transport Information: | UN 3106 |
| PSA: | 46.53000 |
| LogP: | 1.96980 |
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| Conditions | Yield |
|---|---|
| Stage #1: 3-chlorobenzamide With sodium nitrite; N-bromoacetamide at 16℃; for 2.16667h; Stage #2: With zinc fluoride; water for 4h; Temperature; | 98.7% |
| Conditions | Yield |
|---|---|
| With potassium hydroxide; 1-hydroxyethylene-(1,1-diphosphonic acid); dihydrogen peroxide In methanol; water at 17 - 18℃; Product distribution; dependence of the purity of the product on the ratio of the solvent components, m-CBC:KOH and m-CBC:H2O2 ratios, stirring rates, nature and concentration of phosphorus-containing stabilizers and reactions temperatures; | 88% |
| With potassium hydroxide; 1-hydroxyethylene-(1,1-diphosphonic acid); dihydrogen peroxide In ethanol; water at 20℃; Product distribution; effect of the solvent ratio and amount, the stabilizer; | |
| With potassium hydroxide; 1-hydroxyethylene-(1,1-diphosphonic acid); dihydrogen peroxide In methanol; chloroform; water at 20℃; preparation of highly concentrated m-chloroperoxybenzoic acid; | |
| With hydrogenchloride; potassium hydroxide; 1-hydroxyethylene-(1,1-diphosphonic acid); dihydrogen peroxide 1.) water, ethanol, 17-20 degC; 2.) chloroform, -5 degC, pH=2; Yield given. Multistep reaction; | |
| With magnesium sulfate heptahydrate; dihydrogen peroxide; potassium hydroxide In 1,4-dioxane; water at 15 - 20℃; for 0.333333h; |
| Conditions | Yield |
|---|---|
| With potassium peroxomonosulphate; N-benzyl-N,N,N-triethylammonium chloride In diethyl ether; water at 20℃; for 15h; | 87.5% |
| With dihydrogen peroxide In dichloromethane at 10℃; for 15h; Yield given; | |
| With potassium permanganate; benzyltriphenylphosphonium chloride In chloroform; water at 15℃; for 8h; Reagent/catalyst; Temperature; Solvent; |
- 18791-75-8
4-Bromothiophen-2-aldehyde
- 624-92-0
Dimethyldisulphide
A
- 222554-16-7
4-(methylsulfanyl)thiophene-2-carbaldehyde
B
- 937-14-4
3-chloro-benzenecarboperoxoic acid
| Conditions | Yield |
|---|---|
| With oxygen In 1,2-dichloro-ethane at 20℃; Reagent/catalyst; |
- 937-14-4
3-chloro-benzenecarboperoxoic acid
| Conditions | Yield |
|---|---|
| In dichloromethane at 0 - 20℃; for 2h; Oxidation; | 100% |
- 937-14-4
3-chloro-benzenecarboperoxoic acid
| Conditions | Yield |
|---|---|
| In dichloromethane at 0 - 20℃; for 2h; Oxidation; | 100% |
- 937-14-4
3-chloro-benzenecarboperoxoic acid
| Conditions | Yield |
|---|---|
| In dichloromethane at 0 - 20℃; for 2h; Oxidation; | 100% |
- 937-14-4
3-chloro-benzenecarboperoxoic acid
| Conditions | Yield |
|---|---|
| In dichloromethane at 0 - 20℃; for 2h; Oxidation; | 100% |
- 937-14-4
3-chloro-benzenecarboperoxoic acid
| Conditions | Yield |
|---|---|
| In dichloromethane at 0 - 20℃; for 2h; Oxidation; | 100% |
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Chemistry
Molecular Structure of 3-Chloroperoxybenzoic acid (CAS NO.937-14-4):
IUPAC Name: 3-chlorobenzenecarboperoxoic acid
Molecular Formula: C7H5ClO3
Formula Weight: 172.57
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 35.53 Å2
Index of Refraction: 1.576
Molar Refractivity: 39.82 cm3
Molar Volume: 120.2 cm3
Surface Tension: 53.2 dyne/cm
Density: 1.434 g/cm3
Enthalpy of Vaporization: 57.65 kJ/mol
Melting point: 69-71 °C(lit.)
Boiling Point: 305.5 °C at 760 mmHg
Flash Point: 138.6 °C
Density: 1.434 g/cm3
Vapour Pressure: 0.000357 mmHg at 25°C
Storage temp: 2-8°C
Index of Refraction: 1.576
Water Solubility: insoluble
BRN: 608317
Stability: Strong oxidizing agent - contact with combustible material may cause fire. May be shock or heat sensitive. Incompatible with organic materials, strong reducing agents.
Product Categories: Pharmaceutical intermediates; Organic acids; Organic Peroxide; Oxidation; Synthetic Organic Chemistry
Uses
3-Chloroperoxybenzoic acid (CAS NO.937-14-4) is widely used in Central reaction, Baeyer-Villiger reaction, N-oxidation reaction and S-oxidation reactions. It can be used as oxidants for synthesizing pharmaceuticals, pesticides and other chemical products; In addition, it sometimes is used as bleach.
Production
Add 1.5g magnesium sulfate heptahydrate, 36g sodium hydroxide, 360ml water, 90ml hydrogen peroxide(30%), dioxane and ice block into the polyethylene container, and the temperature dropped to 15 ° C. Then, in the intense mixing, add 52.5g m-chlorobenzoyl chloride and ice block, maintaining the temperature at 25 ° C below. After reaction for 15 minutes, add 900ml cold sulfuric acid(20%), and standing for a moment to diverge organic horizon. Finally, through filtration, the filtrate evaporate solvent and 51g, 3-Chloroperoxybenzoic acid (CAS NO.937-14-4) is obtained.
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Questionable carcinogen with experimental tumorigenic data. Reaction with 2-bromo-4-methyl pyridine forms a violently unstable product. When heated to decomposition it emits toxic fumes of Cl−. See also PEROXIDES, INORGANIC; PEROXIDES, ORGANIC and CHLORIDES.
Hazard Codes: 
O,
Xi,
C
Risk Statements: 5-8-36/37/38-43-7-34-22
R5 :Heating may cause an explosion.
R8 :Contact with combustible material may cause fire.
R36/37/38:Irritating to eyes, respiratory system and skin.
R7:May cause fire.
R34:Causes burns.
R22:Harmful if swallowed.
Safety Statements: 17-26-36/37-45-36/37/39-3/7-14-27-7/9
S17:Keep away from combustible material.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S14:Keep away from ... (a list of incompatible materials will follow).
S27:Take off immediately all contaminated clothing.
RIDADR: UN 3106 5.2
WGK Germany: 3
RTECS: SD9470000
F: 4.4
HazardClass: 5.2
PackingGroup: II
Specification
3-Chloroperoxybenzoic acid , with CAS number of 937-14-4, can be called 3-Chloroperbenzoic acid ; 3-Chlorobenzenecarboperoxoic acid ; m-Chlorobenzoyl hydroperoxide ; m-Chloroperbenzoic acid ; m-Chloroperoxobenzoicacid ; m-Chloroperoxybenzoic acid . 3-Chloroperoxybenzoic acid (CAS NO.937-14-4) is the white crystalline powder. Almost insoluble in water, soluble in alcohol, ether, dissolved in chloroform, dichloroethane.