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

CAS: 75-27-4 Cat. No.: B101284 Fórmula: BrCHCl₂ Peso molecular: 163.83 Beilstein Registry Number: 1697005 Número EC: 200-856-7

CALIDAD & PUREZA 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

Especificaciones

Sinónimos

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

Especificaciones y pureza

analytical standard, for environmental analysis

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

para el análisis medioambiental, Patrón analítico

Nombres e identificadores

Sonrisas canónicas

C(Cl)(Cl)Br

IUPAC Name

bromo(dichloro)methane

InChIKey

FMWLUWPQPKEARP-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

C(Cl)(Cl)Br

WGK Alemania

3

RTECS

PA5310000

Número ONU

2810

Grupo de embalaje

I

Peso molecular

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
    • Clase Alkyl halides
      • Subclass Halomethanes

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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

Objetivos asociados (no humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive.
• Índice de refracción: 1.5
• Punto de ebullición (°C): 87°C
• Punto de fusión (°C): -55°C
• Peso molecular: 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