Basic information
- CAS
65202-57-5- Standard SMILES
COC(=O)c1ccc(F)nn1- InChIKey
IJAIKYPTIWDOOA-UHFFFAOYSA-N- Molecular formula
- C6H5FN2O2
- Average molar mass
- 156.11 g/mol
- Monoisotopic mass
- 156.03350557
Names & identifiers
- Preferred name
- Methyl 6-fluoropyridazine-3-carboxylate
- IUPAC
- methyl 6-fluoropyridazine-3-carboxylate
- English name
- Methyl 6-fluoropyridazine-3-carboxylate
- Molecular formula
- C6H5FN2O2
- Molecular weight
- 156.11
Names & synonyms
Methyl 6-fluoropyridazine-3-carboxylate65202-57-5RefChem:817397871-359-6SCHEMBL29089853QCA20257Methyl6-fluoropyridazine-3-carboxylateAT24744EN300-7437320Z19394452973-Pyridazinecarboxylic acid, 6-fluoro-, methyl ester
Database identifiers
- CAS
65202-57-5- PubChem CID
- 12379810
- EC Number
- 871-359-6
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Melting point
- 125 °C · 125 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 285.5 · 285.5±20.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -0.62 · -0.62±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers5 total
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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