3-Chloroperoxybenzoic acid supplier

Name
3-Chloroperoxybenzoic acid
EINECS 213-322-3
CAS No. 937-14-4
Article Data25
CAS DataBase
Density 1.435 g/cm³
Solubility insoluble in water
Melting Point 69-71 °C(lit.)
Formula C₇H₅ClO₃
Boiling Point 305.5 °C at 760 mmHg
Molecular Weight 172.568
Flash Point 138.6 °C
Transport Information UN 3106
Appearance white powder
Safety 17-26-36/37-45-36/37/39-3/7-14-27-7/9
Risk Codes 5-8-36/37/38-43-7-34-22
Molecular Structure
Hazard Symbols O,Xi,C
Synonyms Peroxybenzoicacid, m-chloro- (7CI,8CI);3-Chlorobenzenecarboperoxoic acid;3-Chloroperbenzoic acid;m-Chlorobenzoyl hydroperoxide;m-Chloroperbenzoic acid;m-Chloroperoxobenzoicacid;m-Chloroperoxybenzoic acid;
PSA 46.53000
LogP 1.96980

Synthetic route

: 618-48-4
3-chlorobenzamide

: 937-14-4
3-chloro-benzenecarboperoxoic acid

Conditions

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%

: 618-46-2
m-Chlorobenzoyl chloride

: 937-14-4
3-chloro-benzenecarboperoxoic acid

Conditions

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;

: 535-80-8
3-chlorobenzoate

: 937-14-4
3-chloro-benzenecarboperoxoic acid

Conditions

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

...Expand

: 587-04-2
3-Chlorobenzaldehyde

: 937-14-4
3-chloro-benzenecarboperoxoic acid

Conditions

Conditions	Yield
With oxygen In 1,2-dichloro-ethane at 20℃; Reagent/catalyst;

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: (1S,5S,7S)-3-[(E)-2-methyl-2-pentenyl]-7-exo-hydroxymethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane

: 3-Chloro-benzoate(1S,3S,5S,7S)-3-hydroxy-7-hydroxymethyl-3-((E)-2-methyl-pent-2-enyl)-6,8-dioxa-3-azonia-bicyclo[3.2.1]octane;

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 2h; Oxidation;	100%

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: methyl (1S,5S,7R)-3-cinnamyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-exo-carboxylate

: 3-Chloro-benzoate(1S,3S,5S,7R)-3-hydroxy-7-methoxycarbonyl-3-((E)-3-phenyl-allyl)-6,8-dioxa-3-azonia-bicyclo[3.2.1]octane;

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 2h; Oxidation;	100%

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: (1S,5S,7S)-3-cinnamyl-6,8-dioxa-7-exo-hydroxymethyl-3-azabicyclo[3.2.1]octane

: 3-Chloro-benzoate(1S,3S,5S,7S)-3-hydroxy-7-hydroxymethyl-3-((E)-3-phenyl-allyl)-6,8-dioxa-3-azonia-bicyclo[3.2.1]octane;

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 2h; Oxidation;	100%

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: (1S,4R,5S,7S)-3-[(E)-2-methyl-2-pentenyl]-4-exo-benzyl-7-endo-hydroxymethyl-6,8-dioxa-3-azabicyclo[3.2.1]octane

: 3-Chloro-benzoate(1S,3S,4R,5S,7S)-4-benzyl-3-hydroxy-7-hydroxymethyl-3-((E)-2-methyl-pent-2-enyl)-6,8-dioxa-3-azonia-bicyclo[3.2.1]octane;

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 2h; Oxidation;	100%

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: (1S,4R,5S,7S)-3-cinnamyl-4-endo-benzyl-6,8-dioxa-7-exo-hydroxymethyl-3-azabicyclo[3.2.1]octane

: 3-Chloro-benzoate(1S,3S,4R,5S,7S)-4-benzyl-3-hydroxy-7-hydroxymethyl-3-((E)-3-phenyl-allyl)-6,8-dioxa-3-azonia-bicyclo[3.2.1]octane;

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 2h; Oxidation;	100%

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: 636580-96-6
(S,E)-N(3)-(3',3'-dimethyl-but-1'-enyl)-4-phenyl-5,5-dimethyloxazolidin-2-one

: 636580-99-9
(4S,1'R,2'S)-N(3)-(1'-m-chlorobenzoyl-2'-hydroxy-3',3'-dimethyl-but-1'-yl)-4-phenyl-5,5-dimethyloxazolidin-2-one

Conditions

Conditions	Yield
In chloroform at 0 - 20℃;	100%
In chloroform at 0 - 20℃;	100%

: 1067232-31-8
(4S,2'R,3'S)-N(3)-(3'-methyloxiran-2'-yl)-4-phenyl-5,5-dimethyloxazolidin-2-one

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: 1067232-34-1
(4S,1'R,2'S)-N(3)-[1'-(m-chlorobenzoyl)-2'-hydroxy-propan-1'-yl]-4-phenyl-5,5-dimethyloxazolidin-2-one

Conditions

Conditions	Yield
In acetone at 0 - 20℃;	100%

: 1189550-39-7
t-butyl [(1S)-1-({4-[(4-fluorophenyl)thio]piperidin-1-yl}carbonyl)-2-methylpropyl]carbamate

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: 1189550-40-0
t-butyl [(1S)-1-({4-[(4-fluorophenyl)sulfonyl]piperidin-1-yl}carbonyl)-2-methylpropyl]carbamate

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 1h;	100%

: 110-87-2
3,4-dihydro-2H-pyran

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: 1334610-35-3
3-hydroxytetrahydro-2H-pyran-2-yl 3-chlorobenzoate

Conditions

Conditions	Yield
In dichloromethane at 0℃; for 1h;	100%

: C52H84B2Br6N12Ni2O2

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: [NiII(OOC(=O)C6H4Cl-m)(TpiPr2,Br)]

Conditions

Conditions	Yield
In diethyl ether at -40.16℃; for 0.166667h; Inert atmosphere; Schlenk technique;	100%

: C17H19Cl(56)FeN5O4(2-)*2C8H20N(1+)

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: C17H19(57)FeN5O5(1-)*2C8H20N(1+)

Conditions

Conditions	Yield
Cooling;	100%

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: 55052-28-3
4-chloro-7-azaindole

: 935466-76-5
4-chloro-1H-pyrrolo[2,3-b]pyridine-7-oxide 3-chlorobenzoic acid salt

Conditions

Conditions	Yield
In ethyl acetate at 0℃; for 2h;	100%
In n-heptane; acetic acid butyl ester at 0 - 20℃; for 12h;	94%
In n-heptane; acetic acid butyl ester at 0 - 20℃;	94%
In n-heptane; acetic acid butyl ester at 0 - 20℃; for 12h;	94%
In n-heptane; acetic acid butyl ester at 20℃;	75%

: 3-[5-(4-toluyl)-1,3,4-oxadiazol-2-yl]-10-methylphenothiazine

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: 3-[5-(4-toluyl)-1,3,4-oxadiazol-2-yl]-10-methylphenothiazine-S,S-dioxide

Conditions

Conditions	Yield
With pyridine In dichloromethane	99.3%

: 549494-37-3
methyl 2-({2-[4-(benzyloxy)phenyl]ethyl}thio)-3-[4-(2-{4-[(methylsulfonyl)oxy]-phenoxy}ethyl)phenyl]propanoate

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: 817642-93-6
methyl 2-((2-[4-(benzyloxy)phenyl]ethyl)sulfonyl)-3-[4-(2-(4-[(methylsulfonyl)oxy]phenoxy)ethyl)phenyl]propanoate

Conditions

Conditions	Yield
With sodium hydrogencarbonate In dichloromethane at 20℃; for 2h;	99%

: (RS,SR)-(η5-C5H5)Fe(CO)(PPh3)(COCH(Me)SPh)

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: (RSS,SRR)-(η5-C5H5)Fe(CO)(PPh3)(COCH(Me)SOPh)

Conditions

Conditions	Yield
-100°C; X-ray diffraction;	99%

: Ru(C20H8N4(C6H3(OCH2)2C3H2O2(C6H5)2)4)(CO)

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: Ru(C20H8N4(C6H3(OCH2)2C3H2O2(C6H5)2)4)(O)2

Conditions

Conditions	Yield
according to Groves et al., J. Am. Chem. Soc. 1985, 107, 5790; 1988, 110, 4217;	99%

: 174681-58-4
5,6-dihydropyridine-1(2H)-carboxylate

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: 66207-08-7
3,4-epoxy-piperidine-1-carboxylic acid benzyl ester

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃;	99%

: 13327-31-6
6-iodoquinoline

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: C9H8INO

Conditions

Conditions	Yield
With potassium carbonate In chloroform at 20℃; for 48h;	99%

: [Ru(2,2’-bipyridine)2((2-(methylthio)phenyl)bis(4-methoxyphenyl)phosphane)](PF6)2

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: [Ru(2,2’-bipyridine)2(p-MeOPh2-PSO-Me)](PF6)2

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 12h; Inert atmosphere; Schlenk technique;	99%

: N-methyl-N-(naphthalen-2-ylethynyl)methanesulfonamide

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: C21H18ClNO5S

Conditions

Conditions	Yield
In 1,2-dichloro-ethane at 20℃; for 2h;	99%

: cyclopentadienyltricarbonyl(4-methylbenzenethiolato)tungsten(II)

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: (C5H5)W(CO)3SO2(p-C6H4CH3)

Conditions

Conditions	Yield
With ammonia In dichloromethane ClC6H4CO3H was added to a CH2Cl2 soln. of CpW(CO)3SPh, mixt. stirred moderately for 1 h, react. was monitored by IR; to remove unreacted educt and byproduct anhydrous ammonia was bubbled into the soln., ppt. was filtered, soln. was evapd.; IR, NMR;	98%

: (η5-C5H4Si(CH3)3)2Ti(CCSi(CH3)3)2CuCH3

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: [((η(5)C5H4SiMe3)2Ti)(CCSiMe3)2]CuOOC(O)C6H4Cl-3

Conditions

Conditions	Yield
In tetrahydrofuran byproducts: CH4; all manipulations in atm. of purified N2; org. compd. added to Ti compd. in THF at -70°C; volatiles removed in vac., residue washed with cold n-pentane, elem. anal.;	98%

: 676544-27-7
(η5:η1-C5H4CH2CH2N(Me)CH2CH2CH2CH2OH)Re(CO)2

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: (η5:η1-C5H4CH2CH2N(Me)(CH2)4OH)Re(CO)(η2-CO2)

Conditions

Conditions	Yield
In dichloromethane MCPBA was added at 0°C to a stirred soln. of Re-complex, the mixt. was stirred for 20 min; the mixt. of the anti- and syn-isomers in 72:28 ratio was formed; evapd., residue was wahsed with Et2O; elem. anal.;	98%

: 31970-04-4
1-carboxybenzyl-3-pyrrolidine

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: 31865-25-5
benzyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 18h;	98%

: 3-fluoro-5-((7-(methylthio)-1-oxo-2,3-dihydro-1H-inden-4-yl)oxy)benzonitrile

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: 3-fluoro-5-((7-(methylsulfoxide)-1-oxo-2,3-dihydro-1H-inden-4-yl)oxy)benzonitrile

Conditions

Conditions	Yield
In dichloromethane Cooling with ice;	98%

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: 325457-67-8
3-bromo-6-((4-methoxybenzyl)oxy)benzaldehyde

: 5-bromo-2-((4-methoxybenzyl)oxy)phenol

Conditions

Conditions	Yield
Stage #1: 3-chloro-benzenecarboperoxoic acid; 3-bromo-6-((4-methoxybenzyl)oxy)benzaldehyde In dichloromethane for 16h; Stage #2: With sodium hydroxide In methanol for 0.5h;	98%

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: 535-80-8
3-chlorobenzoate

Conditions

Conditions	Yield
With 2,3-dicarboxyanthraquinone; oxygen In methanol for 24h; Irradiation;	97%
With KO2 Mechanism;	95%
With 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin; superoxide Mechanism; Product distribution; further reagent: superoxide, H2O;	95%

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: 1027219-00-6
6--N-methylamino>coumarin

: 162130-82-7
1-(3-chlorobenzoyloxymethyl)-2-(4-chlorophenoxymethyl)-3-methyl-3,7-dihydropyrano<3,2-e>indol-7-one

Conditions

Conditions	Yield
In dichloromethane for 12h; Ambient temperature;	97%

: 271-63-6
7-Azaindole

: 937-14-4
3-chloro-benzenecarboperoxoic acid

: 1H-pyrrolo[2,3-b]pyridine 1-oxide meta-chlorobenzoic acid salt

Conditions

Conditions	Yield
In 1,2-dimethoxyethane; n-heptane at 20℃; for 19h; Inert atmosphere;	97%
In diethyl ether at 20℃; for 5h;	96%
In diethyl ether at 20℃; Solvent;	96%

3-Chloroperoxybenzoic acid Chemical Properties

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

3-Chloroperoxybenzoic acid 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.

3-Chloroperoxybenzoic acid 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.

3-Chloroperoxybenzoic acid Consensus Reports

Reported in EPA TSCA Inventory.

3-Chloroperoxybenzoic acid 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: Oxidizing O, Irritant Xi, Corrosive 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

3-Chloroperoxybenzoic acid 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.

Product Name

3-Chloroperoxybenzoic acid

Synthetic route

3-Chloroperoxybenzoic acid Chemical Properties

3-Chloroperoxybenzoic acid Uses

3-Chloroperoxybenzoic acid Production

3-Chloroperoxybenzoic acid Consensus Reports

3-Chloroperoxybenzoic acid Safety Profile

3-Chloroperoxybenzoic acid Specification

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