3-Chloroperoxybenzoic acid(MCPBA) - ≥75% , CAS No.937-14-4

CAS: 937-14-4 Cat. No.: C106491 Formula: C₇H₅ClO₃ Peso molecolare: 172.57 Beilstein Registry Number: 608317 Numero EC: 213-322-3

QUALITÀ & PUREZZA ≥75%

Synonyms

MCPBA | 3-Chloroperoxybenzoic acid, MCPBA | GUANOSINE 5'-O-(3-THIOTRIPHOSPHATE) | metachlorperbenzoic acid | 3-Chloroperbenzoic acid, <=77% | Benzenecarboperoxoic acid, 3-chloro- | EINECS 213-322-3 | MCPBA | m-CPBA | CHEBI:52091 | CID 93082 | m-chlorperbe

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifiche

Sinonimi

MCPBA | 3-Chloroperoxybenzoic acid, MCPBA | GUANOSINE 5'-O-(3-THIOTRIPHOSPHATE) | metachlorperbenzoic acid | 3-Chloroperbenzoic acid, <=77% | Benzenecarboperoxoic acid, 3-chloro- | EINECS 213-322-3 | MCPBA | m-CPBA | CHEBI:52091 | CID 93082 | m-chlorperbe

Specifiche e purezza

≥75%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice,FedEx DG Service

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥75%

Nomi e identificatori

Pubchem Sid

508808923

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808923

Sorrisi canonici

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

IUPAC Name

3-chlorobenzenecarboperoxoic acid

InChIKey

NHQDETIJWKXCTC-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

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

WGK Germania

3

Numero UN

3106

Peso molecolare

172.57

Beilstein

608317

Reaxy-Rn

608317

Reaxys-RN_link_address

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

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 3-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 3-halobenzoic acids and derivatives
• Alternative Parents: Peroxybenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Peroxycarboxylic acids Organic hydroperoxides Carboxylic acid salts Peroxols Monocarboxylic acids and derivatives Organochlorides Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-halobenzoic acid or derivatives - Peroxybenzoate - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Peroxycarboxylic acid or derivatives - Peroxycarboxylic acid - Carboxylic acid salt - Hydroperoxide - Monocarboxylic acid or derivatives - Peroxol - Carboxylic acid derivative - Organic oxygen compound - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
• External Descriptors: monochlorobenzenes - peroxy acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Heat sensitive
• Punto di fusione (°C): 69-71°C
• Peso molecolare: 172.560 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 171.993 Da
• Monoisotopic Mass: 171.993 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 149.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1