2,3-Dichlorophenol - ≥98% , CAS No.576-24-9

CAS: 576-24-9 Cat. No.: D106517 분자식: C₆H₄Cl₂O 분자량: 163 Beilstein Registry Number: 2043615 EC 번호: 209-399-8

GRADE & PURITY ≥98%

Synonyms

Phenol, 2,3-dichloro- | NSC 60646 | Q27280968 | SCHEMBL134755 | NCGC00091161-02 | 2,3 dichlorophenol | MFCD00002160 | AC-10660 | 2,3-Dichlorophenol 10 microg/mL in Methanol | AKOS000120221 | EINECS 209-399-8 | 4-06-00-00883 (Beilstein Handbook Reference)

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

동의어

Phenol, 2,3-dichloro- | NSC 60646 | Q27280968 | SCHEMBL134755 | NCGC00091161-02 | 2,3 dichlorophenol | MFCD00002160 | AC-10660 | 2,3-Dichlorophenol 10 microg/mL in Methanol | AKOS000120221 | EINECS 209-399-8 | 4-06-00-00883 (Beilstein Handbook Reference)

사양 및 순도

≥98%

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥98%

이름과 식별자

Pubchem Sid

504752104

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752104

정식 스마일

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

IUPAC Name

2,3-dichlorophenol

InChIKey

UMPSXRYVXUPCOS-UHFFFAOYSA-N

INCHI

1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H

이성체 SMILES

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

WGK 독일

3

RTECS

SK8450000

UN 번호

2020

포장 그룹

III

분자량

163

Beilstein

2043615

Reaxy-Rn

2043615

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043615&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: O-chlorophenols M-chlorophenols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,2-dichlorobenzene - 3-halophenol - 2-halophenol - 2-chlorophenol - 3-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl chloride - Aryl halide - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• External Descriptors: a chloroaromatic compound

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

관련 대상(인간)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in ethanol, ether, and heat.
• 발화점(°C): 115°C
• 끓는점(°C): 214°C
• 녹는점(°C): 56°C
• 분자량: 163.000 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 161.964 Da
• Monoisotopic Mass: 161.964 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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