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| CAS No.: | 20289-44-5 |
|---|---|
| Name: | 4-AMINOPYRAZOLO[3,4-D]PYRIMIDINE |
| Molecular Structure: | |
|
|
|
| Formula: | C5H5N5 |
| Molecular Weight: | 135.13 |
| Synonyms: | 4H-Pyrazolo[3,4-d]pyrimidine,4-amino- (8CI);4-Aminopyrazolo[3,4-d]pyrimidine; |
| EINECS: | 219-174-6 |
| Density: | 1.891 g/cm3 |
| Melting Point: | >325 °C(lit.) |
| Boiling Point: | 299.549 °C at 760 mmHg |
| Flash Point: | 134.963 °C |
| Appearance: | WHITE TO BROWN POWDER, CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS |
| Hazard Symbols: |
 T
|
| Risk Codes: | 25-36/37/38-23/24/25 |
| Safety: | 26-36/37/39-45-22 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 95.92000 |
| LogP: | 0.55280 |
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Chemistry
IUPAC Name: 1H-pyrazolo[3,4-d]pyrimidin-4-amine
Empirical Formula: C5H5N5
Molecular Weight: 135.1267g/mol
EINECS: 219-174-6
Structure of 4H-Pyrazolo[3,4-d]pyrimidin-4-amine (CAS NO.20289-44-5):
Index of Refraction: 1.837
Molar Refractivity: 37.03 cm3
Molar Volume: 83.8 cm3
Polarizability: 14.68 10-24cm3
Surface Tension: 122.7 dyne/cm
Density: 1.612 g/cm3
Flash Point: 244.4 °C
Enthalpy of Vaporization: 68.67 kJ/mol
Boiling Point: 431.1 °C at 760 mmHg
Vapour Pressure: 1.23E-07 mmHg at 25°C
Product Categories: PYRIMIDINE;Pyridines, Pyrimidines, Purines and Pteredines;Amines;Pyrimidines;Fused Ring Systems;Building Blocks;Heterocyclic Building Blocks
Canonical SMILES: C1=NNC2=C1C(=NC=N2)N
InChI: InChI=1S/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H3,6,7,8,9,10)
InChIKey: LHCPRYRLDOSKHK-UHFFFAOYSA-N
Safety Profile
Hazard Codes: 
T
Risk Statements: 25-36/37/38-23/24/25
R25 :Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/37/39-45-22
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S22:Do not breathe dust.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: UR0717000
HazardClass: 6.1(b)
PackingGroup: III
Specification
4H-Pyrazolo[3,4-d]pyrimidin-4-amine , its cas register number is 20289-44-5. It also can be called 4-Aminopyrazolo(3,4-d)pyrimidine ; 1H-Pyrazolo(3,4-d)pyrimidin-4-amine . 4H-Pyrazolo[3,4-d]pyrimidin-4-amine (CAS NO.20289-44-5) is irritating to eyes, respiratory system and skin. And it's toxic by inhalation, in contact with skin and if swallowed.