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

CAS: 124-48-1 Cat. No.: C196360 Molecular Weight: 208.28 Beilstein Registry Number: 1731046 EC Number: 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

Synonyms

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

Specifications & Purity

analytical standard

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: C(Cl)(Br)Br
• IUPAC Name: dibromo(chloro)methane
• InChIKey: GATVIKZLVQHOMN-UHFFFAOYSA-N
• INCHI: 1S/CHBr2Cl/c2-1(3)4/h1H
• Isomeric SMILES: C(Cl)(Br)Br
• WGK Germany: 3
• RTECS: PA6360000
• UN Number: 2810
• Packing Group: I
• Molecular Weight: 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
    • Class Alkyl halides
      • Subclass Halomethanes

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.54
• Boil Point(°C): 119-120°C
• Melt Point(°C): -22°C
• Molecular Weight: 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

References

1. Jiaben Zhong, Hangyan Zhang, Yina Cai, Xiuping Chen, Zhiyuan Fang, Dun Deng.  (2023)  Rapid and visual detection of dichloroacetonitrile in water.  ANALYST,  148  (21): (5390-5394).  [PMID:37750310] [10.1039/D3AN01282D]

2. Feilong Dong, Zhen Pang, Jianquan Yu, Jing Deng, Xueyan Li, Xiaoyan Ma, Andrea M. Dietrich, Yang Deng.  (2021)  Spatio-temporal variability of halogenated disinfection by-products in a large-scale two-source water distribution system with enhanced chlorination.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:34523488] [10.1016/j.jhazmat.2021.127113]

3. Yan Wang, Lingfei Li, Zhe Sun, Huiyu Dong, Jianwei Yu, Zhimin Qiang.  (2021)  Removal of disinfection by-product precursors in drinking water treatment processes: Is fluorescence parallel factor analysis a promising indicator?.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:34119980] [10.1016/j.jhazmat.2021.126298]

4. Wu Yang, Lili Dong, Zhen Luo, Xiaochun Cui, Jiancong Liu, Zhongmou Liu, Mingxin Huo.  (2013)  Application of ultrasound and quartz sand for the removal of disinfection byproducts from drinking water.  CHEMOSPHERE,      [PMID:24296031] [10.1016/j.chemosphere.2013.11.018]

5. Baoquan Liu, Lianchong Shao, Jiayun Yu, Feipeng Huang, Chengpu Chu, Shaoping Tong, Laiquan Li, Huan Wu, Yinghua Xu, Bin Liu.  (2026)  Electrochemical hydrogenation of halogenated disinfection byproducts in drinking water purification.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2026.137108]