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

CAS: 75-27-4 Cat. No.: B101284 분자식: BrCHCl₂ 분자량: 163.83 Beilstein Registry Number: 1697005 EC 번호: 200-856-7

등급 & 순도 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

사양

동의어

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

사양 및 순도

analytical standard, for environmental analysis

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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등급

분석 표준물질, 환경 분석을 위해

이름과 식별자

정식 스마일

C(Cl)(Cl)Br

IUPAC Name

bromo(dichloro)methane

InChIKey

FMWLUWPQPKEARP-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

C(Cl)(Cl)Br

WGK 독일

3

RTECS

PA5310000

UN 번호

2810

포장 그룹

I

분자량

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
    • 분류 Alkyl halides
      • Subclass Halomethanes

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

관련 대상(인간)

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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive.
• 굴절률: 1.5
• 끓는점(°C): 87°C
• 녹는점(°C): -55°C
• 분자량: 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