1-(4-fluorobenzyl)-3-nitro-1H-pyrazole
Basic information
- CAS
400877-64-7- Standard SMILES
O=[N+]([O-])c1ccn(Cc2ccc(F)cc2)n1- InChIKey
PYMBCEHDVUAFOI-UHFFFAOYSA-N- Molecular formula
- C10H8FN3O2
- Average molar mass
- 221.19 g/mol
- Monoisotopic mass
- 221.06005467
Names & identifiers
- Preferred name
- 1-(4-fluorobenzyl)-3-nitro-1H-pyrazole
- IUPAC
- 1-[(4-fluorophenyl)methyl]-3-nitropyrazole
- English name
- 1-(4-Fluoro-benzyl)-3-nitro-1H-pyrazole
- Molecular formula
- C10H8FN3O2
- Molecular weight
- 221.19
Names & synonyms
400877-64-71-(4-fluorobenzyl)-3-nitro-1H-pyrazole1-[(4-Fluorophenyl)methyl]-3-nitro-1H-pyrazole1-(4-Fluoro-benzyl)-3-nitro-1H-pyrazole1-[(4-fluorophenyl)methyl]-3-nitropyrazoleMFCD030878921-[(4-fluorophenyl)methyl]-3-nitro-pyrazoleSCHEMBL21199265DTXSID701249933SBB022215STK312977AKOS000310204
Show more names
AKOS B020824ART-CHEM-BB B020824SALOR-INT L119954-1EA
AKOS015922183ST45092136ST50621149EN300-229685G62679F025773
Database identifiers
- CAS
400877-64-7- PubChem CID
- 973650
- DTXSID
DTXSID701249933- EC Number
- 120-914-4
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
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]
P264, P270, P301+P317, P330, 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%)
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Related reactions
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Compound notes
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