Pyrocatechol - sublimed grade, ≥99.5% , CAS No.120-80-9

Name: Pyrocatechol - sublimed grade, ≥99.5% , CAS No.120-80-9
Brand: Aladdin Scientific
SKU: P431587
Availability: InStock

CAS: 120-80-9 Cat. No.: P431587 Formula: C₆H₆O₂ Molecular Weight: 110.11 Beilstein Registry Number: 471401 EC Number: 204-427-5

468 Citations COA

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Pyrocatechol - sublimed grade, ≥99.5% CAS No(120-80-9) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY Sublimed grade ? ≥99.5%

Synonyms

2-Hydroxyphenol, 1,2-Benzenediol, 1,2-Dihydroxybenzene, Catechol

Storage

Room temperature

Shipped In

FedEx DG Service

Overview Specifications Names and Identifiers Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Citations of This Product Solution Calculators Reviews

Overview

Application

Pyrocatechol may be used in the synthesis of micro-mesoporous carbon aerogels.

Specifications

Synonyms

2-Hydroxyphenol, 1,2-Benzenediol, 1,2-Dihydroxybenzene, Catechol

Specifications & Purity

sublimed grade, ≥99.5%

Storage

Room temperature

Shipped In

FedEx DG Service

Grade

Sublimed grade

Purity

≥99.5%

Names and Identifiers

Canonical Smiles

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

IUPAC Name

benzene-1,2-diol

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

RTECS

UX1050000

UN Number

2811

Packing Group

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=

Advanced Data

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
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

3D Structure

Associated Targets(Human)

PDE5A Tclin Phosphodiesterase 5A (5113 Activities)

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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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CA2 Tclin Carbonic anhydrase II (17698 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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HMGCR Tclin HMG-CoA reductase (2475 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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INSR Tclin Insulin receptor (5558 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACE Tclin Angiotensin-converting enzyme (1423 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 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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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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DRD4 Tchem Dopamine D4 receptor (7907 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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HRH2 Tclin Histamine H2 receptor (5428 Activities)

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ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)

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HTR1B Tclin Serotonin 1b (5-HT1b) receptor (2801 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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CALCR Tclin Calcitonin receptor (2215 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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HRH1 Tclin Histamine H1 receptor (7573 Activities)

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ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

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XDH Tclin Xanthine dehydrogenase (1038 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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HTR4 Tclin Serotonin 4 (5-HT4) receptor (2068 Activities)

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ESR2 Tclin Estrogen receptor beta (9272 Activities)

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Associated Targets(non-human)

Agtr2 Angiotensin II type 2 (AT-2) receptor (803 Activities)

Discover Target: Agtr2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ampC Beta-lactamase AmpC (62480 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mc4r Melanocortin receptor 4 (1205 Activities)

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Ca7 Carbonic anhydrase VII (3 Activities)

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Ltc4s Leukotriene C4 synthase (1 Activities)

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Sigmar1 Sigma opioid receptor (160 Activities)

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Npy1r Neuropeptide Y receptor type 1 (8 Activities)

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Cckar Cholecystokinin A receptor (90 Activities)

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PIK3CA PI3-kinase p110-alpha subunit (51 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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Nos2 Nitric oxide synthase, inducible (3573 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Mmp2 Matrix metalloproteinase-2 (12 Activities)

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Mmp9 Matrix metalloproteinase 9 (38 Activities)

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Carboxylesterase (379 Activities)

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aroB 3-dehydroquinate synthase (25 Activities)

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Carbonic anhydrase (69 Activities)

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Staphylococcus aureus (210822 Activities)

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Plasmodium falciparum (966862 Activities)

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Caenorhabditis elegans (1055 Activities)

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Meloidogyne incognita (862 Activities)

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Rattus norvegicus (775804 Activities)

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L1210 (27553 Activities)

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NIH3T3 (5395 Activities)

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HT-22 (3261 Activities)

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lef Anthrax lethal factor (7585 Activities)

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pfk 6-phospho-1-fructokinase (7870 Activities)

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Ca15 Carbonic anhydrase 15 (173 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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BCHE Cholinesterase (8742 Activities)

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Lasiodiplodia theobromae (193 Activities)

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Vibrio harveyi (399 Activities)

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luxP Autoinducer 2-binding periplasmic protein luxP (60 Activities)

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ARG1 Arginase-1 (70 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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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nfo Endonuclease 4 (425 Activities)

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Phosphoglycerate kinase, glycosomal (2184 Activities)

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CA3 Carbonic anhydrase 3 (27 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Diplodia seriata (145 Activities)

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Botryosphaeria dothidea (71 Activities)

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Neofusicoccum ribis (37 Activities)

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Mechanisms of Action

Certificates (CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	260.6 °F - closed cup
Flash Point(°C)	127°C- closed cup
Boil Point(°C)	245°C
Melt Point(°C)	100-103 °C (lit.)
Molecular Weight	110.110 g/mol
XLogP3	0.900
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 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	62.900
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

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Enzymatic Hydroxylation Mechanism of Salicylate Conversion to Catechol

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Coating Material Natural Paint

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Categories: Technical Articles: Reagent Chemistry, Synthesis & Bioscience Guides

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Carbonyl Conjugation

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📚 Citations by Application

Organic synthesis — reaction medium221

Industrial & non-pharma application16

Nanoparticle / material biocompatibility6

Other applications247

Extraction & workup solvent137

Spectroscopy sample preparation38

Polymer synthesis & polymerization26

Electrochemistry & battery electrolyte103

Drug / compound screening45

Chromatography (HPLC / GC / TLC)28

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Crystallization & recrystallization5

Cell viability2

Cytotoxicity screening5

Controlled-release & nanoparticle carrier5

Cross-coupling reactions10

Cell proliferation1

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Pyrocatechol - sublimed grade, ≥99.5% , CAS No.120-80-9

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