Resorcinol - AR, ≥99% , CAS No.108-46-3

CAS: 108-46-3 Cat. No.: R111662 Fórmula: C₆H₆O₂ Peso molecular: 110.11 Beilstein Registry Number: 906905 Número CE: 203-585-2 PubChem CID: 5054

GRADE & PURITY AR, ≥99%

Synonyms

NSC 1571 | RESORCINOL (EP MONOGRAPH) | 3aqt | MFCD00002269 | RESORCINOL (USP MONOGRAPH) | RESORCINOL [MART.] | 1,3-dihyroxybenzene | CCRIS 4052 | HEXYLRESORCINOL IMPURITY B [EP IMPURITY] | Resorcine | YUL4LO94HK | m-Dihydroxybenzene | phenol derivative, 3

Storage

Protected from light,Room temperature,Argon charged

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Visão geral

Resorcinol is an aromatic alcohol useful in the synthesis of pharmaceuticals and various organic compounds as a chemical intermediate. Resorcinol may be produced in bacteria from other phenolic compounds, and may undergo further conversion to alicyclic products and eventual oxidation to acetyl-CoA. Resorcinol cytotoxicity and cytokine release in human epidermal keratinocytes has been studied. Resorcinol is also used in platicizers and diazo dyes. It can be used in the qualitative determination of ketoses in the Seliwanoff test.
An aromatic alcohol used as a chemical intermediate

Specifications

Sinónimos

NSC 1571 | RESORCINOL (EP MONOGRAPH) | 3aqt | MFCD00002269 | RESORCINOL (USP MONOGRAPH) | RESORCINOL [MART.] | 1,3-dihyroxybenzene | CCRIS 4052 | HEXYLRESORCINOL IMPURITY B [EP IMPURITY] | Resorcine | YUL4LO94HK | m-Dihydroxybenzene | phenol derivative, 3

Especificações e pureza

AR, ≥99%

Condições de armazenamento de armazenamento

Protected from light,Room temperature,Argon charged

Enviado em

FedEx DG Service

Grau

AR

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488179872

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179872

Sorrisos canónicos

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

IUPAC Name

benzene-1,3-diol

InChIKey

GHMLBKRAJCXXBS-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

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

WGK Alemanha

2

RTECS

VG9625000

PubChem CID

5054

Número UN

2876

Grupo de embalagem

III

Peso molecular

110.11

Beilstein

906905

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Resorcinols
• 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: Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
• External Descriptors: a benzenediol

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

Alvos associados (humanos)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)

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TYR Tclin Tyrosinase (717 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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CXCL8 Tchem Interleukin-8 (642 Activities)

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CA3 Tclin Carbonic anhydrase III (753 Activities)

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CA6 Tclin Carbonic anhydrase VI (993 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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ALB Tchem Serum albumin (2651 Activities)

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CA5B Tclin Carbonic anhydrase VB (957 Activities)

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CA5A Tclin Carbonic anhydrase VA (1168 Activities)

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CA14 Tclin Carbonic anhydrase XIV (1305 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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Homo sapiens (32628 Activities)

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Lymphoblastoid cell (5959 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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Skin (286 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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GMNN Tbio Geminin (128009 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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Alvos associados (não humanos)

Ca7 Carbonic anhydrase VII (3 Activities)

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Ca13 Carbonic anhydrase XIII (322 Activities)

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CA4 Carbonic anhydrase IV (1713 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Carbonic anhydrase (69 Activities)

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Staphylococcus aureus (210822 Activities)

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Bacillus subtilis (32866 Activities)

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Crotalus adamanteus (3 Activities)

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L1210 (27553 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Ca15 Carbonic anhydrase 15 (173 Activities)

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ARG1 Arginase-1 (70 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water (1000 mg/ml), DMSO, methanol, alcohol (111 mg/ml), and chloroform (slightly).,
• Sensibilidade: Air and Light Sensitive
• Ponto de inflamação (°F): 260.6 °F
• Ponto de inflamação (°C): 127 °C
• Ponto de ebulição (°C): 280°C
• Ponto de fusão (°C): 109-111°C
• Peso molecular: 110.110 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 110.037 Da
• Monoisotopic Mass: 110.037 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 64.900
• 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