7-Bromo-4-chloro-8-methylquinoline - ≥96% , CAS No.1189106-50-0

CAS: 1189106-50-0 Cat. No.: B166312 分子式: C₁₀H₇BrClN 分子量: 256.53 EC番号: 802-593-9

GRADE & PURITY ≥96%

Synonyms

SCHEMBL15011055 | BS-53134 | SB68601 | UPJFHRDSKRYSLG-UHFFFAOYSA-N | 7-Bromo-4-chloro-8-methylquinoline, AldrichCPR | 7-Bromo-4-chloro-8-methylquinoline | AKOS025394217 | MFCD12674986 | DTXSID40670928 | 1189106-50-0 | E78404

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

SCHEMBL15011055 | BS-53134 | SB68601 | UPJFHRDSKRYSLG-UHFFFAOYSA-N | 7-Bromo-4-chloro-8-methylquinoline, AldrichCPR | 7-Bromo-4-chloro-8-methylquinoline | AKOS025394217 | MFCD12674986 | DTXSID40670928 | 1189106-50-0 | E78404

仕様と純度

≥96%

保管条件

Room temperature

入荷

Normal

純度

≥96%

名前と識別子

パブケム・シド

488201205

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488201205

カノニカル・スマイル

CC1=C(C=CC2=C(C=CN=C12)Cl)Br

IUPAC Name

7-bromo-4-chloro-8-methylquinoline

InChIKey

UPJFHRDSKRYSLG-UHFFFAOYSA-N

INCHI

1S/C10H7BrClN/c1-6-8(11)3-2-7-9(12)4-5-13-10(6)7/h2-5H,1H3

異性体SMILES

CC1=C(C=CC2=C(C=CN=C12)Cl)Br

WGKドイツ

3

分子量

256.53

Reaxy-Rn

26732670

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26732670&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloroquinolines
• Alternative Parents: Pyridines and derivatives Benzenoids Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
• External Descriptors: Not available

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

化学的性質と物理的性質

• 分子量: 256.519 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 254.945 Da
• Monoisotopic Mass: 254.945 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 188.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1189106-50-0, the molecular formula is C10H7BrClN, and the molecular weight is 256.53 g/mol. InChIKey UPJFHRDSKRYSLG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.