Pentafluorobenzamide - ≥97% , CAS No.652-31-3

CAS: 652-31-3 Cat. No.: P160272 분자식: C₇H₂F₅NO 분자량: 211.09 EC 번호: 211-488-1 PubChem CID: 69547

GRADE & PURITY ≥97%

Synonyms

SY030327 | Benzamide, 2,3,4,5,6-pentafluoro- | UNII-SLC3DDD5GG | C7H2F5NO | PS-10077 | AKOS000299241 | D92043 | MFCD00007971 | Benzamide,3,4,5,6-pentafluoro- | ETHYL2-HYDROXYETHYLSULFIDE | SCHEMBL161645 | EINECS 211-488-1 | STL196578 | 2,3,4,5,6-Pentafluo

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

SY030327 | Benzamide, 2,3,4,5,6-pentafluoro- | UNII-SLC3DDD5GG | C7H2F5NO | PS-10077 | AKOS000299241 | D92043 | MFCD00007971 | Benzamide,3,4,5,6-pentafluoro- | ETHYL2-HYDROXYETHYLSULFIDE | SCHEMBL161645 | EINECS 211-488-1 | STL196578 | 2,3,4,5,6-Pentafluo

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

• Pubchem Sid: 504754406
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754406
• 정식 스마일: C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)N
• IUPAC Name: 2,3,4,5,6-pentafluorobenzamide
• InChIKey: WPWWHXPRJFDTTJ-UHFFFAOYSA-N
• INCHI: 1S/C7H2F5NO/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H2,13,14)
• 이성체 SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)N
• PubChem CID: 69547
• 분자량: 211.09
• Reaxy-Rn: 2054394

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 4-halobenzoic acids and derivatives
• Alternative Parents: 3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Primary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-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): 148 °C
• 분자량: 211.090 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 211.006 Da
• Monoisotopic Mass: 211.006 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 222.000
• 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

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 652-31-3, the molecular formula is C7H2F5NO, and the molecular weight is 211.09 g/mol. InChIKey WPWWHXPRJFDTTJ-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.