4,6-Dichloropyrazolo[3,4-d]pyrimidine - CAS 42754-96-1
Catalog: |
BB068018 |
Product Name: |
4,6-Dichloropyrazolo[3,4-d]pyrimidine |
CAS: |
42754-96-1 |
Synonyms: |
4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine |
IUPAC Name: | 4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine |
Description: | 4,6-Dichloropyrazolo[3,4-d]pyrimidine (cas# 42754-96-1) is a compound useful in organic synthesis. |
Molecular Weight: | 189 |
Molecular Formula: | C5H2Cl2N4 |
Canonical SMILES: | C1=NNC2=C1C(=NC(=N2)Cl)Cl |
InChI: | InChI=1S/C5H2Cl2N4/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H,8,9,10,11) |
InChI Key: | CTYPROOLWJDUTA-UHFFFAOYSA-N |
Melting Point: | >150°C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Off-White to Pale Green Solid |
Storage: | Refrigerator |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.9656515 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.9656515 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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