1-(difluoromethyl)-1H-pyrazole-3-carbonitrile
Basic information
- CAS
1379276-84-2- Standard SMILES
N#Cc1ccn(C(F)F)n1- InChIKey
VGVJQMZTVIRWQH-UHFFFAOYSA-N- Molecular formula
- C5H3F2N3
- Average molar mass
- 143.09 g/mol
- Monoisotopic mass
- 143.02950343
Names & identifiers
- Preferred name
- 1-(difluoromethyl)-1H-pyrazole-3-carbonitrile
- IUPAC
- 1-(difluoromethyl)pyrazole-3-carbonitrile
- English name
- 1-Difluoromethyl-1H-pyrazole-3-carbonitrile
- Molecular formula
- C5H3F2N3
- Molecular weight
- 143.0942264
Names & synonyms
1-(difluoromethyl)-1H-pyrazole-3-carbonitrile1379276-84-2RefChem:427644886-200-61-(DIFLUOROMETHYL)PYRAZOLE-3-CARBONITRILEMFCD15976746SCHEMBL17394979YQF0893EFC27684STL414897AKOS016346058AT15785
Show more names
1-Difluoromethyl-1H-pyrazole-3-carbonitrile1H-Pyrazole-3-carbonitrile, 1-(difluoromethyl)-
CS-0377866EN300-232487
Database identifiers
- CAS
1379276-84-2- PubChem CID
- 71833009
- EC Number
- 886-200-6
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 202.6 · 202.6±40.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- -5.19 · -5.19±0.19(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319-H332-H312
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H315-H319-H332-H312
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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