1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride
Basic information
- CAS
175137-19-6- Standard SMILES
O=C(Cl)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F- InChIKey
NEJFCXJQJOAJMO-UHFFFAOYSA-N- Molecular formula
- C11H5Cl2F3N2O
- Average molar mass
- 309.07 g/mol
- Monoisotopic mass
- 307.9731027
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride
- IUPAC
- 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
- English name
- 2-(4-Chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonyl chloride
- Molecular formula
- C11H5Cl2F3N2O
- Molecular weight
- 309.07
Names & synonyms
175137-19-61-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carbonyl chlorideDTXSID40371504RefChem:225060DTXCID60322538638-947-22-(4-Chlorophenyl)-3-(Trifluoromethyl)Pyrazole-4-Carbonyl Chloride1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chlorideMFCD000681431H-Pyrazole-4-carbonyl chloride, 1-(4-chlorophenyl)-5-(trifluoromethyl)-SCHEMBL2856010SBB001267
Show more names
2-(4-ChlBUTTPARK 46\18-27TIMTEC-BB SBB0012672-(4-Chlorophenyl)-3-(trifluormethyl)pyrazole-4-carbonyl Chloride1-(4-chlorophenyl)-5-(trifluoromethyl)-4-pyrazolecarbonyl chloride2-(4-Chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonylchloride97%2-(4-CHLOROPHENYL)-3-(TRIFLUOROMETHYL) PYRAZOLE-N 4-CARBONYL CHLORIDE
AKOS015850316PS-10707DB-044050CS-0316411F0082581-(4-Chloro-phenyl)-5-trifluoromethyl-1H-pyrazole-4-carbonyl chloride
Database identifiers
- CAS
175137-19-6- PubChem CID
- 2736645
- DTXSID
DTXSID40371504- EC Number
- 638-947-2
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Melting point
- 51 °C · 51 °C
- Boiling point
- 120 °C · 120 °C
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- -7.43 · -7.43±0.10(Predicted)
- CAS DataBase Reference
- 175137 · 175137-19-6(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Hazard Codes
- Xi,C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3261 · 3261
- Hazard Note
- Irritant
- HazardClass
- CORROSIVE
- 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
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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. 4 (50%)
Safety data
- ridadr
- 3261
- hs_code
- 2933199090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- hazard_class
- CORROSIVE
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Suppliers
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Related reactions
10 records
Compound notes
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