4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
- Product Name4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
- CAS3680-69-1
- CBNumberCB8742621
- MFC6H4ClN3
- MW153.57
- EINECS628-079-2
- MDL NumberMFCD01686865
- MOL File3680-69-1.mol
- MSDS FileSDS
Chemical Properties
Melting point | 188-194 °C |
Boiling point | 289.2±50.0 °C(Predicted) |
Density | 1.61±0.1 g/cm3(Predicted) |
vapor pressure | 0Pa at 25℃ |
storage temp. | Keep in dark place,Inert atmosphere,2-8°C |
solubility | Soluble in DMSO, ethyl acetate and methanol. |
form | Crystalline Powder |
pka | 11.42±0.20(Predicted) |
color | White to tan |
InChI | InChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10) |
InChIKey | BPTCCCTWWAUJRK-UHFFFAOYSA-N |
SMILES | C1=NC(Cl)=C2C=CNC2=N1 |
LogP | 0.858 at 30℃ |
CAS DataBase Reference | 3680-69-1(CAS DataBase Reference) |
FDA UNII | 9VV5MK5RX3 |
Safety
Symbol(GHS) | ||||||||||
Signal word | Danger | |||||||||
Hazard statements | H301 | |||||||||
Precautionary statements | P301+P310 | |||||||||
Hazard Codes | Xi,T,Xn | |||||||||
Risk Statements | 36/37/38-25-20/21/22 | |||||||||
Safety Statements | 26-37-45-36 | |||||||||
RIDADR | UN 2811 6.1/PG 3 | |||||||||
WGK Germany | 3 | |||||||||
RTECS | UY9360000 | |||||||||
TSCA | No | |||||||||
HazardClass | IRRITANT | |||||||||
PackingGroup | Ⅲ | |||||||||
HS Code | 29335990 | |||||||||
NFPA 704: |
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