Product Name

  • Name

    2-Fluoroadenine

  • EINECS 624-159-6
  • CAS No. 700-49-2
  • Article Data15
  • CAS DataBase
  • Density 1.739 g/cm3
  • Solubility
  • Melting Point >350 °C(lit.)
  • Formula C5H4FN5
  • Boiling Point 676.9 °C at 760 mmHg
  • Molecular Weight 153.119
  • Flash Point 363.2 °C
  • Transport Information
  • Appearance white to light yellow crystal powder
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 700-49-2 (2-Fluoroadenine)
  • Hazard Symbols IrritantXi
  • Synonyms Purine, 6-amino-2-fluoro-;2-fluoro-7H-purin-6-amine;1H-Purin-6-amine, 2-fluoro- (9CI);1H-Purin-6-amine, 2-fluoro-;2-Fluoro-1H-purin-6-amine;2-Fad;2-fluoro-5H-purin-6-amine;2-Fluoro-6-aminopurine;SRI 774;6-Amino-2-fluoropurine;
  • PSA 80.48000
  • LogP 0.65540

2-Fluoroadenine Chemical Properties

Molecule structure of 2-Fluoroadenine (CAS NO.700-49-2):

IUPAC Name: 2-Fluoro-7H-purin-6-amine 
Molecular Weight: 153.117163 g/mol
Molecular Formula: C5H4FN5 
Density: 1.739 g/cm3 
Melting Point: >350 °C(lit.)
Boiling Point: 676.9 °C at 760 mmHg 
Flash Point: 363.2 °C
Index of Refraction: 1.782
Molar Refractivity: 37.03 cm3
Molar Volume: 88 cm3
Surface Tension: 111.5 dyne/cm
Enthalpy of Vaporization: 99.37 kJ/mol
Vapour Pressure: 3.51E-18 mmHg at 25 °C
XLogP3: -0.1
H-Bond Donor: 2
H-Bond Acceptor: 5
Tautomer Count: 8
Exact Mass: 153.045073
MonoIsotopic Mass: 153.045073
Topological Polar Surface Area: 80.5
Heavy Atom Count: 11
Canonical SMILES: C1=NC2=C(N1)C(=NC(=N2)F)N
InChI: InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
InChIKey: WKMPTBDYDNUJLF-UHFFFAOYSA-N
Product Categories: Miscellaneous;Amines;Purine;Chemical Amines;Purines;Biochemistry;Nucleobases and their analogs;Nucleosides, Nucleotides & Related Reagents;Bases & Related Reagents;Heterocycles;Nucleotides;Fused Ring Systems

2-Fluoroadenine Uses

 2-Fluoroadenine (CAS NO.700-49-2) is used as a purine nucleoside phosphorylase gene therapy for human malignancy.

2-Fluoroadenine Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 11340ug/kg (11.34mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,

2-Fluoroadenine Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: AU6264700
Hazard Note: Irritant
HazardClass: IRRITANT, IRRITANT-HARMFUL

2-Fluoroadenine Specification

 2-Fluoroadenine (CAS NO.700-49-2) is also named as 2-Fad ; 2-Fluoro-1H-purin-6-amine ; 2-Fluoro-6-aminopurine ; BRN 0610958 ; NSC 27364 ; Purine, 6-amino-2-fluoro- ; SRI 774 ; 1H-Purin-6-amine, 2-fluoro- (9CI) ; Adenine, 2-fluoro- ; Adenine, 2-fluoro- (VAN) (8CI) . 2-Fluoroadenine (CAS NO.700-49-2) is white to light yellow crystal powder.

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