3-Methyl-2-phenylpyridine - ≥98%(GC) , CAS No.10273-90-2

CAS: 10273-90-2 Cat. No.: M137948 분자식: C₁₂H₁₁N 분자량: 169.22 Beilstein Registry Number: 20(3/4)3656 EC 번호: 233-619-1

등급 & 순도 ≥98%(GC)

Synonyms

SB52471 | 2-Phenyl-3-methyl-pyridine | NSC 26784 | OIY9I0GL3Z | NSC26784 | SY019480 | J-512843 | EINECS 233-619-1 | MFCD00006283 | 2-Phenyl-beta-picoline | 3-Methyl-2-phenylpyridine | 3-methyl-2-phenyl-pyridine | 3-Methyl-2-phenylpyridine, 98% | FT-061607

Storage

Room temperature

Shipped In

Normal

사양

동의어

SB52471 | 2-Phenyl-3-methyl-pyridine | NSC 26784 | OIY9I0GL3Z | NSC26784 | SY019480 | J-512843 | EINECS 233-619-1 | MFCD00006283 | 2-Phenyl-beta-picoline | 3-Methyl-2-phenylpyridine | 3-methyl-2-phenyl-pyridine | 3-Methyl-2-phenylpyridine, 98% | FT-061607

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488183772

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183772

정식 스마일

CC1=C(N=CC=C1)C2=CC=CC=C2

IUPAC Name

3-methyl-2-phenylpyridine

InChIKey

BJATUPPYBZHEIO-UHFFFAOYSA-N

INCHI

1S/C12H11N/c1-10-6-5-9-13-12(10)11-7-3-2-4-8-11/h2-9H,1H3

이성체 SMILES

CC1=C(N=CC=C1)C2=CC=CC=C2

WGK 독일

3

분자량

169.22

Beilstein

20(3/4)3656

Reaxy-Rn

116783

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116783&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Methylpyridines Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyridine - Methylpyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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

• 굴절률: 1.6010 to 1.6040
• 발화점(°F): 96°C(lit.)
• 발화점(°C): 96°C(lit.)
• 끓는점(°C): 160°C/3mmHg
• 분자량: 169.220 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 169.089 Da
• Monoisotopic Mass: 169.089 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 149.000
• 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