4-Methylcatechol is used to synthesize antimicrobial, antioxidant. It also acts as effective inhibitor. It can be used to produce 4-bromo-5-methyl-pyrocatechol. It Increases Brain-Derived Neurotrophic Factor Content and mRNA Expression in Cultured Brain Cells and in Rat Brain In Vivo.

仕様

同義語

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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名前と識別子

パブケム・シド

528760779

カノニカル・スマイル

CC1=CC(=C(C=C1)O)O

IUPAC Name

4-methylbenzene-1,2-diol

InChIKey

ZBCATMYQYDCTIZ-UHFFFAOYSA-N

INCHI

1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3

異性体SMILES

CC1=CC(=C(C=C1)O)O

WGKドイツ

RTECS

UX1915000

分子量

124.14

Beilstein

636512

Reaxy-Rn

636512

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636512&ln=

ドキュメント

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詳細データ

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - 分類 Phenols
    - Subclass Benzenediols

Kingdom	Organic compounds
Superclass	Benzenoids
分類	Phenols
Subclass	Benzenediols
Intermediate Tree Nodes	Not available
Direct Parent	Catechols
Alternative Parents	Para cresols Meta cresols Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-cresol - M-cresol - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
説明	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

3 D構造

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レビュー

📚 用途別の引用文献

Organic synthesis — reaction medium10

Other applications2

Extraction & workup solvent5

Cross-coupling reactions2

Industrial & non-pharma application1

Polymer synthesis & polymerization1

Electrochemistry & battery electrolyte1

10 件の引用文献をすべて見る →

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感度	Light & Air Sensitive;Moisture sensitive
引火点（°F）	284 °F
引火点（°C）	140 °C
沸点（°C）	251°C
融点（°C）	67-69°C
分子量	124.140 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	124.052 Da
Monoisotopic Mass	124.052 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	92.900
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

4-Methylpyrocatechol - 10mM in DMSO , CAS No.452-86-8

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概要

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