Catechol solution - analytical standard, 1000ug/ml in methanol , CAS No.120-80-9

CAS: 120-80-9 Cat. No.: C117392 Formula: C₆H₆O₂ Molecular Weight: 110.11 Beilstein Registry Number: 471401 EC Number: 204-427-5

GRADE & PURITY Analytical standard, 1000ug/ml in methanol

Synonyms

Pyrocatechol|1,2-Benzenediol|1,2-Dihydroxybenzene|o-dihydroxybenzene

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

Pyrocatechol | 1,2-Benzenediol | 1,2-Dihydroxybenzene | o-dihydroxybenzene

Specifications & Purity

analytical standard, 1000ug/ml in methanol

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Grade

Analytical standard

Names and Identifiers

Canonical Smiles

Oc1ccccc1O

InChIKey

YCIMNLLNPGFGHC-UHFFFAOYSA-N

INCHI

1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

Isomeric SMILES

C1=CC=C(C(=C1)O)O

WGK Germany

2

RTECS

UX1050000

UN Number

2811

Packing Group

I

Molecular Weight

110.11

Beilstein

471401

Reaxy-Rn

471401

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471401&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Catechols
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.
• External Descriptors: a catechol

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

Chemical and Physical Properties

• Sensitivity: Light sensitive.
• x_flash_point_drop_fahrenheit: 260.6 °F - closed cup
• x_flash_point_drop_centigrade: 127°C- closed cup
• x_boil_point_char: 245°C
• x_melt_point_char: 100-103 °C (lit.)