3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
Basic information
- CAS
142623-90-3- Standard SMILES
FC(F)(F)c1cc(-c2ccc(Cl)cc2)n[nH]1- InChIKey
YEWZHKXOYAEAAS-UHFFFAOYSA-N- Molecular formula
- C10H6ClF3N2
- Average molar mass
- 246.61 g/mol
- Monoisotopic mass
- 246.0171604
Names & identifiers
- Preferred name
- 3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
- IUPAC
- 3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
- English name
- 3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
- Molecular formula
- C10H6ClF3N2
- Molecular weight
- 246.62
Names & synonyms
3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole142623-90-3DTXSID90352686RefChem:274516DTXCID10303751646-565-2MFCD026795105-(4-Chloro-phenyl)-3-trifluoromethyl-1H-pyrazoleBio3C7Maybridge3_0019605-(4-chlorophenyl)-3-(trifluoromethyl)-1h-pyrazoleSCHEMBL1528316
Show more names
SALOR-INT L233048-1EA1H-Pyrazole, 3-(4-chlorophenyl)-5-(trifluoromethyl)-JR-7081, 3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole, 97%
SCHEMBL3977895YEWZHKXOYAEAAS-UHFFFAOYSA-NHMS1436J02STK806359AKOS005608163AT19470IDI1_013347DB-015353
Database identifiers
- CAS
142623-90-3- PubChem CID
- 732508
- DTXSID
DTXSID90352686- EC Number
- 646-565-2
- Nikkaji
- J3.497.358J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 362.7 · 362.7±42.0 °C(Predicted)
- Density
- 1.436 · 1.436±0.06 g/cm3(Predicted)
- pka
- 9.36 · 9.36±0.10(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H413-H301-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, 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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H319-H413-H301-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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