Basic information
- CAS
1042768-00-2- Standard SMILES
FC(F)c1cc(C2CC2)[nH]n1- InChIKey
QOGBWRRHJQSLCY-UHFFFAOYSA-N- Molecular formula
- C7H8F2N2
- Average molar mass
- 158.15 g/mol
- Monoisotopic mass
- 158.06555459
Names & identifiers
- Preferred name
- 5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole
- IUPAC
- 5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole
- English name
- 3-Cyclopropyl-5-difluoromethyl-1H-pyrazole
- Molecular formula
- C7H8F2N2
- Molecular weight
- 158.15
Names & synonyms
5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole1062296-03-0RefChem:535206827-668-33-cyclopropyl-5-(difluoromethyl)-1H-pyrazole1042768-00-25-Cyclopropyl-3-difluoromethyl-1H-pyrazoleMFCD084576763-(difluoromethyl)-5-cyclopropylpyrazole3-CYCLOPROPYL-5-DIFLUOROMETHYL-1H-PYRAZOLESCHEMBL1668374SCHEMBL30071444
Show more names
VITAS-BB TBB0006571H-Pyrazole, 3-cyclopropyl-5-(difluoromethyl)-3-cyclopropyl-5-(difluoromethyl)-1H-pyrazole(SALTDATA: FREE)
DTXSID70428075ALBB-004468MFCD04967413SBB021415STK260861AKOS000306284AKOS002657075FS-1826
Database identifiers
- CAS
1042768-00-2、1062296-03-0- PubChem CID
- 7147403
- DTXSID
DTXSID70428075- EC Number
- 827-668-3
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 276.2 · 276.2±35.0 °C(Predicted)
- Density
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- pka
- 12.24 · 12.24±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
1 records
Compound notes
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