3-Bromopyridine - ≥98% , CAS No.626-55-1

CAS: 626-55-1 Cat. No.: B106977 분자식: C₅H₄BrN 분자량: 158 Beilstein Registry Number: 105880 EC 번호: 210-952-0

GRADE & PURITY ≥98%

Synonyms

PYRIDIN-3-YL BROMIDE | UNII-XMN8H2XE9H | 3-bromopyridin | CHEBI:51575 | XMN8H2XE9H | C5H4BrN | FT-0615250 | 5-bromopyridine | 5-bromo-pyridine | 3-bromopryidine | BCP22223 | 3-Bromopyridine, 99% | AB00739 | AM20061386 | CX1091 | BBL027581 | 3-bromo pyridi

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

동의어

PYRIDIN-3-YL BROMIDE | UNII-XMN8H2XE9H | 3-bromopyridin | CHEBI:51575 | XMN8H2XE9H | C5H4BrN | FT-0615250 | 5-bromopyridine | 5-bromo-pyridine | 3-bromopryidine | BCP22223 | 3-Bromopyridine, 99% | AB00739 | AM20061386 | CX1091 | BBL027581 | 3-bromo pyridi

사양 및 순도

≥98%

보관 조건

Protected from light,Room temperature,Argon charged

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488181607

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181607

정식 스마일

C1=CC(=CN=C1)Br

IUPAC Name

3-bromopyridine

InChIKey

NYPYPOZNGOXYSU-UHFFFAOYSA-N

INCHI

1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H

이성체 SMILES

C1=CC(=CN=C1)Br

WGK 독일

3

UN 번호

1993

분자량

158

Beilstein

105880

Reaxy-Rn

105880

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105880&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - 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 pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• External Descriptors: monobromopyridine

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

• 용해성: Soluble in water (31 g/L at 20°C).
• 감도: light sensitive；Air sensitive
• 굴절률: 1.569-1.571
• 발화점(°F): 125.6 °F
• 발화점(°C): 51 °C
• 끓는점(°C): 173°C
• 녹는점(°C): -27°C
• 분자량: 158.000 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 156.953 Da
• Monoisotopic Mass: 156.953 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 56.000
• 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