ChemicalBook--->CAS DataBase List--->57500-07-9

57500-07-9

57500-07-9 Structure

57500-07-9 Structure
IdentificationMore
[Name]

6-BENZYLOXYPURINE
[CAS]

57500-07-9
[Synonyms]

6-BENZYLOXYPURINE
6-Benzyloxypurine,99%
N-6-BENZYLOXYPURINE
6-PHENYLMETHOXY-5H-PURINE
6-BENZYLOXYPURINE 99%
[Molecular Formula]

C12H10N4O
[MDL Number]

MFCD00213666
[Molecular Weight]

226.23
[MOL File]

57500-07-9.mol
Chemical PropertiesBack Directory
[Melting point ]

173-175 °C (lit.)
[Boiling point ]

414.9±55.0 °C(Predicted)
[density ]

1.36±0.1 g/cm3(Predicted)
[form ]

powder to crystal
[pka]

8.28±0.20(Predicted)
[color ]

White to Light yellow to Green
[Detection Methods]

HPLC
[InChI]

1S/C12H10N4O/c1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12/h1-5,7-8H,6H2,(H,13,14,15,16)
[InChIKey]

ZZZXGPGVDJDFCJ-UHFFFAOYSA-N
[SMILES]

C(Oc1ncnc2[nH]cnc12)c3ccccc3
[CAS DataBase Reference]

57500-07-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->Acetic acid-->Potassium hydroxide-->Benzyl alcohol-->6-Chloropurine-->Methyl trioctyl ammonium chloride
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Synthesis Reference(s)]

Synthetic Communications, 19, p. 1669, 1989 DOI: 10.1080/00397918908051065
Spectrum DetailBack Directory
[Spectrum Detail]

6-BENZYLOXYPURINE(57500-07-9)Raman
6-BENZYLOXYPURINE(57500-07-9)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

57500-07-9(sigmaaldrich)
[TCI AMERICA]

6-Benzyloxypurine,>98.0%(LC)(T)(57500-07-9)
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