5,7-Dichloroquinoline - ≥98% , CAS No.4964-77-6

CAS: 4964-77-6 Cat. No.: D193574 분자식: C₉H₅Cl₂N 분자량: 198.05

GRADE & PURITY ≥98%

Synonyms

SOYGNPWMLQHOGD-UHFFFAOYSA-N | EN300-122876 | Quinoline, 5,7-dichloro- | Z1198322954 | SB67672 | SCHEMBL7712335 | W17440 | AKOS006325452 | 5,7-DICHLOROQUINOLINE | DS-17882 | SY111834 | MFCD11504933 | DTXSID80617812

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

SOYGNPWMLQHOGD-UHFFFAOYSA-N | EN300-122876 | Quinoline, 5,7-dichloro- | Z1198322954 | SB67672 | SCHEMBL7712335 | W17440 | AKOS006325452 | 5,7-DICHLOROQUINOLINE | DS-17882 | SY111834 | MFCD11504933 | DTXSID80617812

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

정식 스마일

C1=CC2=C(C=C(C=C2Cl)Cl)N=C1

IUPAC Name

5,7-dichloroquinoline

InChIKey

SOYGNPWMLQHOGD-UHFFFAOYSA-N

INCHI

1S/C9H5Cl2N/c10-6-4-8(11)7-2-1-3-12-9(7)5-6/h1-5H

이성체 SMILES

C1=CC2=C(C=C(C=C2Cl)Cl)N=C1

분자량

198.05

Reaxy-Rn

125304

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125304&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloroquinolines
• Alternative Parents: Pyridines and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• 설명: 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

화학 및 물리적 특성

• 감도: Moisture sensitive
• 분자량: 198.050 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 196.98 Da
• Monoisotopic Mass: 196.98 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 163.000
• 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