2-Benzyl-4-chlorophenol - ≥97% , CAS No.120-32-1

CAS: 120-32-1 Cat. No.: B152826 Formula: C₁₃H₁₁ClO Peso molecolare: 218.68 Numero EC: 204-385-8

QUALITÀ & PUREZZA ≥97%

Synonyms

AC-10752 | B0812 | CLOROPHENE [MART.] | NCGC00091532-06 | 2-Benzyl-4-chlorophenol | 2-benzyl-4-chloro-phenol | 4-Chloro-alpha-phenyl-o-cresol | MLS002454423 | NCI-C61201 | o-Cresol, 4-chloro-.alpha.-phenyl- | CAS-120-32-1 | EPA Pesticide Chemical Code 062

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

Used in soaps, anionic detergents, cosmetics and aerosol spray products. It is a useful biochemical for proteomics research.

Specifiche

Sinonimi

AC-10752 | B0812 | CLOROPHENE [MART.] | NCGC00091532-06 | 2-Benzyl-4-chlorophenol | 2-benzyl-4-chloro-phenol | 4-Chloro-alpha-phenyl-o-cresol | MLS002454423 | NCI-C61201 | o-Cresol, 4-chloro-.alpha.-phenyl- | CAS-120-32-1 | EPA Pesticide Chemical Code 062

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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

Tipo di azione

INHIBITOR

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504751675

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751675

Sorrisi canonici

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O

IUPAC Name

2-benzyl-4-chlorophenol

InChIKey

NCKMMSIFQUPKCK-UHFFFAOYSA-N

INCHI

1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2

Isomeri SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O

WGK Germania

3

RTECS

GO7175000

Numero UN

3077

Gruppo di imballaggio

III

Peso molecolare

218.68

Reaxy-Rn

1959194

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1959194&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: P-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - 4-chlorophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: Not available

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in ethanol, alkaline solutions. Soluble in water(<1 mg/ml).
• Sensibilità: Air sensitive;Heat sensitive
• Punto di ebollizione (°C): 162 °C/3.5 mmHg
• Punto di fusione (°C): 46 - 50°C
• Peso molecolare: 218.680 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 218.05 Da
• Monoisotopic Mass: 218.05 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 189.000
• 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