2,3-Diaminofluorobenzene - ≥98% , CAS No.18645-88-0

CAS: 18645-88-0 Cat. No.: D182320 Formula: C₆H₇FN₂ Peso molecolare: 126.13 g/mol Numero EC: 848-333-8

QUALITÀ & PUREZZA ≥98%

Synonyms

SY016067 | 3-fluorobenzenediamine | BB 0257180 | 3-Fluoro-1,2-phenylenediamine | DTXSID10382329 | 1,2-DIAMINO-3-FLUOROBENZENE | 2,3-Diaminofluorobenzene | 3-Fluoro-benzene-1,2-diamine | 3-fluorobenzene-1,2-diamine | 2-amino-3-fluorophenylamine;3-Fluoroben

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifiche

Sinonimi

SY016067 | 3-fluorobenzenediamine | BB 0257180 | 3-Fluoro-1,2-phenylenediamine | DTXSID10382329 | 1,2-DIAMINO-3-FLUOROBENZENE | 2,3-Diaminofluorobenzene | 3-Fluoro-benzene-1,2-diamine | 3-fluorobenzene-1,2-diamine | 2-amino-3-fluorophenylamine;3-Fluoroben

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528755260

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528755260

Sorrisi canonici

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

IUPAC Name

3-fluorobenzene-1,2-diamine

InChIKey

OJSCBKGRGMBEEW-UHFFFAOYSA-N

INCHI

1S/C6H7FN2/c7-4-2-1-3-5(8)6(4)9/h1-3H,8-9H2

Isomeri SMILES

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

Peso molecolare

126.13 g/mol

Reaxy-Rn

2716499

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2716499&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 126.130 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 126.059 Da
• Monoisotopic Mass: 126.059 Da
• Topological Polar Surface Area: 52.000 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