Bromodichloromethane - analytical standard, for environmental analysis , CAS No.75-27-4

CAS: 75-27-4 Cat. No.: B101284 分子式: BrCHCl₂ 分子量: 163.83 Beilstein Registry Number: 1697005 EC番号: 200-856-7

グレード＆純度 Analytical standard, for Environmental analysis

Synonyms

BROMODICHLOROMETHANE|75-27-4|Dichlorobromomethane|Methane, bromodichloro-|bromo(dichloro)methane|Dichloromonobromomethane|Monobromodichloromethane|BDCM|CHBrCl2|NCI-C55243|NSC 8018|Bromo-Dichloro-Methane|7LN464CH2O|DTXSID1020198|Bromodichloromethane (stabi

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

仕様

同義語

BROMODICHLOROMETHANE | 75-27-4 | Dichlorobromomethane | Methane, bromodichloro- | bromo(dichloro)methane | Dichloromonobromomethane | Monobromodichloromethane | BDCM | CHBrCl2 | NCI-C55243 | NSC 8018 | Bromo-Dichloro-Methane | 7LN464CH2O | DTXSID1020198 | Bromodichloromethane (stabi

仕様と純度

analytical standard, for environmental analysis

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, 環境分析用

名前と識別子

カノニカル・スマイル

C(Cl)(Cl)Br

IUPAC Name

bromo(dichloro)methane

InChIKey

FMWLUWPQPKEARP-UHFFFAOYSA-N

INCHI

1S/CHBrCl2/c2-1(3)4/h1H

異性体SMILES

C(Cl)(Cl)Br

WGKドイツ

3

RTECS

PA5310000

UN番号

2810

包装グループ

I

分子量

163.83

Beilstein

1697005

Reaxy-Rn

1697005

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697005&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: one-carbon compound - bromoalkane - chloroalkane

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）

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Mus musculus (284745 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

• 感度: Light sensitive.
• 屈折率: 1.5
• 沸点（°C）: 87°C
• 融点（°C）: -55°C
• 分子量: 163.830 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 161.864 Da
• Monoisotopic Mass: 161.864 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