5,7-dichloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine

HCID 57415862

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Basic information

CAS: 939979-32-5
Standard SMILES: Cn1ncc2nc(Cl)nc(Cl)c21
InChIKey: ILSHTSRLVMUZKS-UHFFFAOYSA-N
Molecular formula: C6H4Cl2N4
Average molar mass: 203.03 g/mol
Monoisotopic mass: 201.98130149

Names & identifiers

Preferred name: 5,7-dichloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine
IUPAC: 5,7-dichloro-1-methylpyrazolo[4,5-d]pyrimidine
English name: 1H-Pyrazolo[4,3-d]pyrimidine, 5,7-dichloro-1-methyl-
Molecular formula: C6H4Cl2N4
Molecular weight: 203.03

Names & synonyms

5,7-DICHLORO-1-METHYL-1H-PYRAZOLO[4,3-D]PYRIMIDINE939979-32-5DTXSID907255535,7-Dichloro-1-methyl-1H-pyrazolo(4,3-d)pyrimidineRefChem:298798DTXCID90676298868-625-9MFCD145847225,7-dichloro-1-methylpyrazolo[4,3-d]pyrimidineSCHEMBL16096895,7-Dichloro-1-methyl-pyrazolo[4,3-d]pyrimidineAKOS022173755

Show more names

1H-Pyrazolo[4,3-d]pyriMidine, 5,7-dichloro-1-Methyl-

PB26962AS-42054SY041846CS-0054607FT-0733499EN300-1704207F332559Z1269179121

Database identifiers

CAS: 939979-32-5
PubChem CID: 57415862
DTXSID: DTXSID90725553
EC Number: 868-625-9

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 43.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 179

Physicochemical properties

Density: 1.76 · 1.76±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: 0.47 · 0.47±0.30(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.