4-Chloro-3-nitropyrazolo(1,5-a)pyrazine
Basic information
- CAS
2551116-18-6- Standard SMILES
O=[N+]([O-])c1cnn2ccnc(Cl)c12- InChIKey
VRRQFGOKAKDKJN-UHFFFAOYSA-N- Molecular formula
- C6H3ClN4O2
- Average molar mass
- 198.57 g/mol
- Monoisotopic mass
- 197.994453
Names & identifiers
- Preferred name
- 4-Chloro-3-nitropyrazolo(1,5-a)pyrazine
- IUPAC
- 4-chloro-3-nitropyrazolo[1,5-a]pyrazine
Names & synonyms
4-Chloro-3-nitropyrazolo[1,5-a]pyrazine2551116-18-64-Chloro-3-nitropyrazolo(1,5-a)pyrazineRefChem:521378990-817-7EN300-7463931Z4056863134
Database identifiers
- CAS
2551116-18-6- PubChem CID
- 154809682
- EC Number
- 990-817-7
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 221
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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