2-Chloro-4-fluorophenol - ≥99% , CAS No.1996-41-4

CAS: 1996-41-4 Cat. No.: C124476 분자식: ClC₆H₃(F)OH 분자량: 146.55 Beilstein Registry Number: 1861277 EC 번호: 217-876-7

등급 & 순도 ≥99%

Synonyms

1-Bromo-2,3,5-trifluorobezene|2-chlor-4-fluorophenol|Phenol, 2-chloro-4-fluoro-|2-CHLORO-4-FLUOROPHENOL|2-chloro-4-fluoro-phenol|4-fluoro-2-chlorophenol

Storage

Room temperature,Argon charged

Shipped In

Normal

사양

동의어

1-Bromo-2,3,5-trifluorobezene | 2-chlor-4-fluorophenol | Phenol, 2-chloro-4-fluoro- | 2-CHLORO-4-FLUOROPHENOL | 2-chloro-4-fluoro-phenol | 4-fluoro-2-chlorophenol

사양 및 순도

≥99%

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥99%

이름과 식별자

Pubchem Sid

488184984

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184984

정식 스마일

C1=CC(=C(C=C1F)Cl)O

IUPAC Name

2-chloro-4-fluorophenol

InChIKey

IGYXYGDEYHNFFT-UHFFFAOYSA-N

INCHI

1S/C6H4ClFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H

이성체 SMILES

C1=CC(=C(C=C1F)Cl)O

WGK 독일

3

분자량

146.55

Beilstein

1861277

Reaxy-Rn

1861277

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1861277&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: P-fluorophenols
• Alternative Parents: O-chlorophenols Fluorobenzenes Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Aryl chlorides Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-fluorophenol - 2-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as p-fluorophenols. These are fluorophenols carrying a iodine at the C4 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

• 감도: Air Sensitive
• 굴절률: 1.53
• 발화점(°F): 167 °F
• 발화점(°C): 75°C
• 끓는점(°C): 172°C
• 녹는점(°C): 20-23°C
• 분자량: 146.540 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 145.993 Da
• Monoisotopic Mass: 145.993 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1996-41-4, the molecular formula is C6H4ClFO, and the molecular weight is 146.55 g/mol. InChIKey IGYXYGDEYHNFFT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.