Bromochloromethane(BCM) - ≥99.5% , CAS No.74-97-5

CAS: 74-97-5 Cat. No.: B105792 Molecular Weight: 129.38 Beilstein Registry Number: 1730801 EC Number: 200-826-3

GRADE & PURITY ≥99.5%

Synonyms

Methylene Bromochloride | UN 1887 | SCHEMBL49877 | Bromochloromethane 100 microg/mL in Methanol | NCGC00091237-02 | 4-01-00-00074 (Beilstein Handbook Reference) | Q421751 | BRN 1730801 | bromo(chloro)methane | CHLOROBROMOMETHANE | B0573 | SCHEMBL435277 |

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

Methylene Bromochloride | UN 1887 | SCHEMBL49877 | Bromochloromethane 100 microg/mL in Methanol | NCGC00091237-02 | 4-01-00-00074 (Beilstein Handbook Reference) | Q421751 | BRN 1730801 | bromo(chloro)methane | CHLOROBROMOMETHANE | B0573 | SCHEMBL435277 |

Specifications & Purity

≥99.5%

Storage

Protected from light, Room temperature

Shipped In

FedEx DG Service

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

Purity

≥99.5%

Names and Identifiers

• Pubchem Sid: 488180053
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180053
• Canonical Smiles: C(Cl)Br
• IUPAC Name: bromo(chloro)methane
• InChIKey: JPOXNPPZZKNXOV-UHFFFAOYSA-N
• INCHI: 1S/CH2BrCl/c2-1-3/h1H2
• Isomeric SMILES: C(Cl)Br
• WGK Germany: 2
• RTECS: PA5250000
• UN Number: 1887
• Packing Group: III
• Molecular Weight: 129.38
• Beilstein: 1730801
• Reaxy-Rn: 1730801
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730801&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: Halomethanes
• Alternative Parents: Organochlorides Organobromides Hydrocarbon derivatives Alkyl chlorides Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Halomethane - Hydrocarbon derivative - Organochloride - Organobromide - Alkyl chloride - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as halomethanes. These are organic compounds in which at least one of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
• External Descriptors: an organic chloride - a bromide

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)

Lymphoblastoid cell (5959 Activities)

Explore this target

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive.
• Refractive Index: 1.482
• Flash Point(°F): 312.8 °F
• Flash Point(°C): 156 °C
• Boil Point(°C): 68°C
• Melt Point(°C): -88°C
• Molecular Weight: 129.380 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 127.903 Da
• Monoisotopic Mass: 127.903 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 4.800
• 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. Meng-Meng Lun, Chang-Yuan Su, Jie Li, Qiang-Qiang Jia, Hai-Feng Lu, Da-Wei Fu, Yi Zhang, Zhi-Xu Zhang.  (2023)  Introducing Ferroelasticity into 1D Hybrid Lead Halide Semiconductor by Halogen Substitution Strategy.  Small,  19  (49): (2303127).  [PMID:37625019] [10.1002/smll.202303127]

2. Meng-Meng Lun, Fo-Ling Zhou, Da-Wei Fu, Qiong Ye.  (2022)  Multi-functional hybrid perovskites with triple-channel switches and optical properties.  Journal of Materials Chemistry C,  10  (31): (11371-11378).  [PMID:] [10.1039/D2TC01063A]

3. Yu-Xiang Yang, Chun-Long Mu, Zhen Luo, Wei-Yun Zhu.  (2016)  Bromochloromethane, a Methane Analogue, Affects the Microbiota and Metabolic Profiles of the Rat Gastrointestinal Tract.  APPLIED AND ENVIRONMENTAL MICROBIOLOGY,  82  (3):   [PMID:26567308] [10.1128/AEM.03174-15]

4. Zhi-Jie Wang, Ming-Jing Shen, Zhi-Peng Rao, Pei-Zhi Huang, Meng-Meng Lun, Bo-Wen Deng, Jun-Yi Li, Chang-Feng Wang, Hai-Feng Lu, Da-Wei Fu, Yi Zhang.  (2024)  Structural phase transition drives outright photoluminescence quenching and dielectric duple bistable switching.  Inorganic Chemistry Frontiers,      [PMID:] [10.1039/D4QI00303A]