Related Searches: M-chloroperoxybenzoic acid, 3-chloroperoxybenzoic acid, M-bromobenzoic acid, m-fluorobenzoic acid, m-chlorobenzoic acid, View all

M-chloroperoxybenzoic acid(CAS No. 937-14-4)

M-chloroperoxybenzoic acid C7H5ClO3 (cas 937-14-4) Molecular Structure

937-14-4 Structure

Identification and Related Records

【Name】
M-chloroperoxybenzoic acid
【CAS Registry number】
937-14-4
【Synonyms】
3-Chloroperbenzoic acid
m-Chloroperbenzoic acid
m-CPBA
3-Chloroperoxybenzoic acid
MCPBA
【EINECS(EC#)】
213-322-3
【Molecular Formula】
C7H5ClO3 (Products with the same molecular formula)
【Molecular Weight】
172.57
【Inchi】
InChI=1/C7H5ClO3/c8-6-3-1-2-5(4-6)7(9)11-10/h1-4,10H
【InChIKey】
NHQDETIJWKXCTC-UHFFFAOYSA-N
【MOL File】
937-14-4.mol

Chemical and Physical Properties

【Appearance】
white powder
【Density】
0.56
【Melting Point】
92-94℃ (dec.)
【Boiling Point】
305.5 °C at 760 mmHg
【Refractive Index】
1.571
【Flash Point】
138.6 °C
【Water】
insoluble
【Solubilities】
insoluble in water
【Stability】
Strong oxidizing agent - contact with combustible material may cause fire. May be shock or heat sensitive. Incompatible with organic materials, strong reducing agents.
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:172.5658 [g/mol]
Molecular Formula:C7H5ClO3
XLogP3:2.4
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:2
Exact Mass:171.992722
MonoIsotopic Mass:171.992722
Topological Polar Surface Area:46.5
Heavy Atom Count:11
Formal Charge:0
Complexity:149
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:18

Safety and Handling

【Hazard Codes】
C:Corrosive
【Risk Statements】
R22;R34;R7
【Safety Statements 】
S17;S26;S36/37/39;S45
【HazardClass】
5.2
【Safety】

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:?OxidizingO,IrritantXi,CorrosiveC
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

【PackingGroup 】
II
【Transport】
UN 2755/3106
【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.

【Report】

Reported in EPA TSCA Inventory.

Use and Manufacturing

【Usage】

Used widely as an oxidant in organic synthesis.

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