3,4-Dibromopyridine - ≥97%(GC) , CAS No.13534-90-2

CAS: 13534-90-2 Cat. No.: D154412 분자식: C₅H₃Br₂N 분자량: 236.89 EC 번호: 800-799-3

등급 & 순도 ≥97%(GC)

Synonyms

Pyridine, 3,4-dibromo-|3,4-dibromopyridine|3,4-dibromo-pyridine|3,4-Dibromopyridine98

Storage

Store at 2-8°C

Shipped In

Wet ice

사양

동의어

Pyridine, 3,4-dibromo- | 3,4-dibromopyridine | 3,4-dibromo-pyridine | 3,4-Dibromopyridine98

사양 및 순도

≥97%(GC)

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥97%(GC)

이름과 식별자

Pubchem Sid

504760188

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760188

정식 스마일

C1=CN=CC(=C1Br)Br

IUPAC Name

3,4-dibromopyridine

InChIKey

ZFZWZGANFCWADD-UHFFFAOYSA-N

INCHI

1S/C5H3Br2N/c6-4-1-2-8-3-5(4)7/h1-3H

이성체 SMILES

C1=CN=CC(=C1Br)Br

분자량

236.89

Reaxy-Rn

110193

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110193&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• 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

• 녹는점(°C): 70°C-74°C
• 분자량: 236.890 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 236.861 Da
• Monoisotopic Mass: 234.863 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 76.800
• 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