브로모클로로메탄 - ≥99.5% , CAS No.74-97-5

CAS: 74-97-5 Cat. No.: B105792 분자식: CH₂BrCL 분자량: 129.38 Beilstein Registry Number: 1730801 EC 번호: 200-826-3

GRADE & PURITY ≥99.5%

Synonyms

메틸렌 브로모클로라이드 | UN 1887 | SCHEMBL49877 | 메탄올의 브로모클로로메탄 100 마이크로g/mL | NCGC00091237-02 | 4-01-00-00074 (바일슈타인 핸드북 참조) | Q421751 | BRN 1730801 | 브로모(클로로)메탄 | 클로로브로메탄 | B0573 | SCHEMBL435277|

Storage

Protected from light,Room temperature

Shipped In

보통

Specifications

동의어

메틸렌 브로모클로라이드 | UN 1887 | SCHEMBL49877 | 메탄올의 브로모클로로메탄 100 마이크로g/mL | NCGC00091237-02 | 4-01-00-00074 (바일슈타인 핸드북 참조) | Q421751 | BRN 1730801 | 브로모(클로로)메탄 | 클로로브로메탄 | B0573 | SCHEMBL435277 |

사양 및 순도

≥99.5%

보관 조건

Protected from light,Room temperature

배송

보통

순수함

≥99.5%

이름과 식별자

• Pubchem Sid: 488180053
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180053
• 정식 스마일: C(Cl)Br
• IUPAC Name: bromo(chloro)methane
• InChIKey: JPOXNPPZZKNXOV-UHFFFAOYSA-N
• INCHI: 1S/CH2BrCl/c2-1-3/h1H2
• 이성체 SMILES: C(Cl)Br
• WGK 독일: 2
• RTECS: PA5250000
• UN 번호: 1887
• 포장 그룹: III
• 분자량: 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
    • 분류 Alkyl halides
      • Subclass Halomethanes

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

관련 대상(인간)

Lymphoblastoid cell (5959 Activities)

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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

관련 대상(비인간)

Aspergillus nidulans (364 Activities)

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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: 1.482
• 발화점(°F): 312.8 °F
• 발화점(°C): 156 °C
• 끓는점(°C): 68°C
• 녹는점(°C): -88°C
• 분자량: 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

참고 문헌

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]