Dibromochloromethane solution - analytical standard , CAS No.124-48-1

CAS: 124-48-1 Cat. No.: C196360 分子式: ClCHBr₂ 分子量: 208.28 Beilstein Registry Number: 1731046 EC番号: 204-704-0

GRADE & PURITY Analytical standard

Synonyms

A805237 | D89312 | Methane, dibromochloro- | Dibromochloromethane, analytical standard | CHEBI:34627 | dibromo(chloro)methane | DTXSID1020300 | Dibromochloromethane | Dibromo-chloro-methane | Monochlorodibromomethane | Chlorobromoform | Dibromochlorometha

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

同義語

A805237 | D89312 | Methane, dibromochloro- | Dibromochloromethane, analytical standard | CHEBI:34627 | dibromo(chloro)methane | DTXSID1020300 | Dibromochloromethane | Dibromo-chloro-methane | Monochlorodibromomethane | Chlorobromoform | Dibromochlorometha

仕様と純度

analytical standard

保管条件

Store at 2-8°C,Protected from light

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

分析用標準物質

名前と識別子

パブケム・シド

508812184

カノニカル・スマイル

C(Cl)(Br)Br

IUPAC Name

dibromo(chloro)methane

InChIKey

GATVIKZLVQHOMN-UHFFFAOYSA-N

INCHI

1S/CHBr2Cl/c2-1(3)4/h1H

異性体SMILES

C(Cl)(Br)Br

WGKドイツ

3

RTECS

PA6360000

UN番号

2810

包装グループ

I

分子量

208.28

Beilstein

1731046

Reaxy-Rn

1731046

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731046&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 分類 Alkyl halides
      • Subclass Halomethanes

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: Alkyl halides
• Subclass: Halomethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trihalomethanes
• Alternative Parents: Organochlorides Organobromides Hydrocarbon derivatives Alkyl chlorides Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trihalomethane - Hydrocarbon derivative - Organochloride - Organobromide - Alkyl chloride - Alkyl bromide - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as trihalomethanes. These are organic compounds in which exactly three of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
• External Descriptors: organochlorine 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

関連ターゲット（人間）

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

関連ターゲット（非人間）

Aspergillus nidulans (364 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.54
• 沸点（°C）: 119-120°C
• 融点（°C）: -22°C
• 分子量: 208.280 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 207.811 Da
• Monoisotopic Mass: 205.813 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 13.500
• 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