1，2-Dichlorobenzene - analytical standard , CAS No.95-50-1

CAS: 95-50-1 Cat. No.: D108143 분자식: C₆H₄Cl₂ 분자량: 147.00 EC 번호: 202-425-9

GRADE & PURITY Analytical standard

Synonyms

1,2-DICHLOROBENZENE|o-Dichlorobenzene|95-50-1|ortho-Dichlorobenzene|o-Dichlorbenzol|2-Dichlorobenzene|Chloroben|Dilantin DB|ODCB|o-Dichlorobenzol|Orthodichlorobenzol|Orthodichlorobenzene|Cloroben|Termitkil|Dizene|o-Dichlorbenzene|Dowtherm E|Benzene, 1,2-d

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

동의어

1,2-DICHLOROBENZENE | o-Dichlorobenzene | 95-50-1 | ortho-Dichlorobenzene | o-Dichlorbenzol | 2-Dichlorobenzene | Chloroben | Dilantin DB | ODCB | o-Dichlorobenzol | Orthodichlorobenzol | Orthodichlorobenzene | Cloroben | Termitkil | Dizene | o-Dichlorbenzene | Dowtherm E | Benzene, 1,2-d

사양 및 순도

analytical standard

보관 조건

Room temperature

배송

FedEx DG Service

등급

분석 표준물질

이름과 식별자

Pubchem Sid

508816654

정식 스마일

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

IUPAC Name

1,2-dichlorobenzene

InChIKey

RFFLAFLAYFXFSW-UHFFFAOYSA-N

INCHI

1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H

이성체 SMILES

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

UN 번호

1591

포장 그룹

III

분자량

147.00

Reaxy-Rn

606078

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606078&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: Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,2-dichlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - 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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

관련 대상(비인간)

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

Discover Target: Nfe2l2

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.55
• 발화점(°C): 66°C
• 끓는점(°C): 180.5°C
• 분자량: 147.000 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 145.969 Da
• Monoisotopic Mass: 145.969 Da
• Topological Polar Surface Area: 0.000 Ų
• 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