CAS 128694-66-6 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid (HCID 7017777)

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Basic information

CAS: 128694-66-6
Standard SMILES: CCn1nc(C(F)(F)F)cc1C(=O)O
InChIKey: IWLWUGGGZQMPIX-UHFFFAOYSA-N
Molecular formula: C7H7F3N2O2
Average molar mass: 208.14 g/mol
Monoisotopic mass: 208.04596212

Names & identifiers

Preferred name: 1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
IUPAC: 1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid
English name: 2-ETHYL-5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
Molecular formula: C7H7F3N2O2
Molecular weight: 208.14

Names & synonyms

128694-66-61-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acidDTXSID80426906RefChem:230290DTXCID603777402-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic Acid1H-Pyrazole-5-carboxylic acid, 1-ethyl-3-(trifluoromethyl)-MFCD049702052-Ethyl-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid2-Ethyl-5-trifluoromethyl-2 H -pyrazole-3-carboxylic acid1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxylic acidIWLWUGGGZQMPIX-UHFFFAOYSA-N

Show more names

SCHEMBL950947ALBB-003633BBL016029SBB022368STK312631AKOS000301927FS-1849DB-421600

Database identifiers

CAS: 128694-66-6
PubChem CID: 7017777
DTXSID: DTXSID80426906
EC Number: 675-257-0

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 231

Physicochemical properties

Symbol(GHS): 7 · GHS07,GHS02
Signal word: Warning
Hazard statements: 315 · H315-H319-H226
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07,GHS02
Hazard statements: H315-H319-H226
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235