2,3,5-Trifluorophenol - ≥96% , CAS No.2268-15-7

CAS: 2268-15-7 Cat. No.: T699862 분자식: C₆H₃F₃O 분자량: 148.08 EC 번호: 630-758-3 PubChem CID: 2733311

GRADE & PURITY ≥96%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

사양 및 순도

≥96%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥96%

이름과 식별자

Pubchem Sid

528755214

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528755214

정식 스마일

C1=C(C=C(C(=C1O)F)F)F

IUPAC Name

2,3,5-trifluorophenol

InChIKey

JNZQXSIWHRRMNO-UHFFFAOYSA-N

INCHI

1S/C6H3F3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H

이성체 SMILES

C1=C(C=C(C(=C1O)F)F)F

PubChem CID

2733311

분자량

148.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass Halophenols
        • Level5 Fluorophenols
          • Level6 O-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: O-fluorophenols
• Alternative Parents: M-fluorophenols Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-fluorophenol - 3-fluorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as o-fluorophenols. These are fluorophenols carrying a iodine at the C2 position of the benzene ring.
• 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): 29
• 분자량: 148.080 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 148.014 Da
• Monoisotopic Mass: 148.014 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 120.000
• 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