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

CAS: 452-86-8 Cat. No.: M424061 분자식: C₇H₈O₂ 분자량: 124.14 Beilstein Registry Number: 636512 EC 번호: 207-214-5

등급 & 순도 10mM in DMSO

Synonyms

DTXCID30861 | MLS001066329 | 4-methyl pyrocatechol | MCT | c0126 | CCG-266087 | MFCD00002205 | 1,1-Ferrocenedimethanol | 4-Metylcatechol | SY012747 | DROXIDOPA METABOLITE (3,4-DIHYDROXYTOLUENE) | bmse000475 | InChI=1/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Application

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.

사양

동의어

DTXCID30861 | MLS001066329 | 4-methyl pyrocatechol | MCT | c0126 | CCG-266087 | MFCD00002205 | 1,1-Ferrocenedimethanol | 4-Metylcatechol | SY012747 | DROXIDOPA METABOLITE (3,4-DIHYDROXYTOLUENE) | bmse000475 | InChI=1/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528760779

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

RTECS

UX1915000

분자량

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=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

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Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

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작용 메커니즘

화학 및 물리적 특성

• 감도: Light & Air Sensitive;Moisture sensitive
• 발화점(°F): 284 °F
• 발화점(°C): 140 °C
• 끓는점(°C): 251°C
• 녹는점(°C): 67-69°C
• 분자량: 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 Ų
• 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