3,4-Difluorobenzophenone - ≥98% , CAS No.85118-07-6

CAS: 85118-07-6 Cat. No.: D111816 분자식: C₁₃H₈F₂O 분자량: 218.2 EC 번호: 285-659-4

등급 & 순도 ≥98%

Synonyms

(3,4-Difluorophenyl)(phenyl)methanone|Amino-(tetrahydropyran-4-yl)aceticacidmethylester|(3,4-Difluorophenyl)(phenyl)methanone #|3,4-Difluorobenzophenone|3,4-difluorophenyl phenyl ketone|(3,4-Difluorophenyl)phenylmethanone|(3,4-difluorophenyl)-phenylmethanone|Methanone, (3,4-difluorophenyl)phenyl-

Storage

Room temperature

Shipped In

Normal

사양

동의어

(3,4-Difluorophenyl)(phenyl)methanone | Amino-(tetrahydropyran-4-yl)aceticacidmethylester | (3,4-Difluorophenyl)(phenyl)methanone # | 3,4-Difluorobenzophenone | 3,4-difluorophenyl phenyl ketone | (3,4-Difluorophenyl)phenylmethanone | (3,4-difluorophenyl)-phenylmethanone | Methanone, (3,4-difluorophenyl)phenyl-

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488190354

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190354

정식 스마일

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)F)F

IUPAC Name

(3,4-difluorophenyl)-phenylmethanone

InChIKey

ZJTYHSBOZAQQGF-UHFFFAOYSA-N

INCHI

1S/C13H8F2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H

이성체 SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)F)F

WGK 독일

3

분자량

218.2

Reaxy-Rn

7808356

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7808356&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Fluorobenzenes Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Aryl ketone - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Ketone - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

• 발화점(°F): >110℃
• 발화점(°C): >110℃
• 녹는점(°C): 55-57°C
• 분자량: 218.200 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.054 Da
• Monoisotopic Mass: 218.054 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 248.000
• 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

자주 묻는 질문

How should this product be stored?

Store at room temperature.

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 85118-07-6, the molecular formula is C13H8F2O, and the molecular weight is 218.2 g/mol. InChIKey ZJTYHSBOZAQQGF-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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.