4-chloro-1-[(4-fluorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
Basic information
- CAS
1004194-23-3- Standard SMILES
O=C(O)c1nn(COc2ccc(F)cc2)cc1Cl- InChIKey
MHFVMDJIDYQZNY-UHFFFAOYSA-N- Molecular formula
- C11H8ClFN2O3
- Average molar mass
- 270.64 g/mol
- Monoisotopic mass
- 270.020748
Names & identifiers
- Preferred name
- 4-chloro-1-[(4-fluorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
- IUPAC
- 4-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
- English name
- 4-Chloro-1-[(4-fluorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
- Molecular formula
- C11H8ClFN2O3
- Molecular weight
- 270.64
Names & synonyms
1004194-23-34-chloro-1-[(4-fluorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid4-Chloro-1-((4-fluorophenoxy)methyl)-1H-pyrazole-3-carboxylic acidRefChem:520732981-672-04-chloro-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic Acid4-chloro-1-(4-fluorophenoxymethyl)-1H-pyrazole-3-carboxylic acidMFCD04968047EQB19423SBB009956STK349384AKOS000306815
Show more names
1H-Pyrazole-3-carboxylic acid, 4-chloro-1-[(4-fluorophenoxy)methyl]-
ST059070CS-0264500EN300-929034-Chloro-1-((4-fluorophenoxy)methyl)-1H-pyrazole-3-carboxylicacid
Database identifiers
- CAS
1004194-23-3- PubChem CID
- 7017348
- EC Number
- 981-672-0
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Boiling point
- 472.6 · 472.6±40.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 2.8 · 2.80±0.25(Predicted)
- HS Code
- 2933199090 · 2933199090
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
- hs_code
- 2933199090
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Related reactions
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Compound notes
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