2,5-Difluoroaniline - ≥98%(GC) , CAS No.367-30-6

CAS: 367-30-6 Cat. No.: D155252 Formula: C₆H₅F₂N Molecular Weight: 129.11 Beilstein Registry Number: 2802550 EC Number: 206-690-1

GRADE & PURITY ≥98%(GC)

Synonyms

2.5-difluoroaniline | AM20060287 | A6327 | F2190-0459 | 1,3-NAPHTHYRIDINE-2(1H)-ONE | CCG-302503 | NSC3259 | NSC-3259 | 2,5-Difluoro-phenylamine | Benzenamine,5-difluoro- | 4JNJ8ZZ368 | NSC 3259 | EN300-19958 | AC-3236 | Z104476212 | Benzenamine, 2,5-difl

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

2.5-difluoroaniline | AM20060287 | A6327 | F2190-0459 | 1,3-NAPHTHYRIDINE-2(1H)-ONE | CCG-302503 | NSC3259 | NSC-3259 | 2,5-Difluoro-phenylamine | Benzenamine,5-difluoro- | 4JNJ8ZZ368 | NSC 3259 | EN300-19958 | AC-3236 | Z104476212 | Benzenamine, 2,5-difl

Specifications & Purity

≥98%(GC)

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

488184009

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184009

Canonical Smiles

C1=CC(=C(C=C1F)N)F

IUPAC Name

2,5-difluoroaniline

InChIKey

YNOOQIUSYGWMSS-UHFFFAOYSA-N

INCHI

1S/C6H5F2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2

Isomeric SMILES

C1=CC(=C(C=C1F)N)F

WGK Germany

3

Molecular Weight

129.11

Beilstein

2802550

Reaxy-Rn

2802549

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802549&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Fluorobenzenes Aryl fluorides Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive；Light sensitive
• Refractive Index: 1.52
• Flash Point(°F): 150.8 °F
• Flash Point(°C): 66 °C
• Boil Point(°C): 174 °C
• Melt Point(°C): 13 °C
• Molecular Weight: 129.110 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 129.039 Da
• Monoisotopic Mass: 129.039 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, 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 367-30-6, the molecular formula is C6H5F2N, and the molecular weight is 129.11 g/mol. InChIKey YNOOQIUSYGWMSS-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.