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Cas Database |
| Name |
2-Fluoroadenine |
EINECS | 624-159-6 |
| CAS No. | 700-49-2 | Density | 1.739 g/cm3 |
| PSA | 80.48000 | LogP | 0.65540 |
| Solubility | N/A | 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 | N/A | Appearance | white to light yellow crystal powder |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| 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; |
Article Data | 15 |
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: 
Xi
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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