CAS 217959-85-8 3-Hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid (HCID 2759348)

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Basic information

CAS: 217959-85-8
Standard SMILES: O=C(O)c1sc(C(F)(F)F)cc1O
InChIKey: VPXDRKKLIQLLJO-UHFFFAOYSA-N
Molecular formula: C6H3F3O3S
Average molar mass: 212.15 g/mol
Monoisotopic mass: 211.97549962

Names & identifiers

Preferred name: 3-Hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid
IUPAC: 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid
English name: 3-Hydroxy-5-trifluoromethylthiophene-2-carboxylic
Molecular formula: C6H3F3O3S
Molecular weight: 212.15

Names & synonyms

217959-85-83-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid3-Hydroxy-5-trifluoromethylthiophene-2-carboxylic acid3-Hydroxy-5-trifluoromethylthiophene-2-carboxylicMFCD058643655-(Trifluoromethyl)-3-hydroxythiophene-2-carboxylic acidC6H3F3O3S3-Hydroxy-5-trifluoromethylthiophene-2-carboxylicacidSCHEMBL8338512-Thiophenecarboxylicacid, 3-hydroxy-5-(trifluoromethyl)-DTXSID40374752VPXDRKKLIQLLJO-UHFFFAOYSA-N

Show more names

2-Thiophenecarboxylic acid, 3-hydroxy-5-(trifluoroMethyl)-

AKOS005259329AB22766FS-1685SY238559DB-006462F022033(3-Hydroxy-5-trifluoromethylthien-2-yl)-carboxylic acid3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylicacid

Database identifiers

CAS: 217959-85-8
PubChem CID: 2759348
DTXSID: DTXSID40374752
EC Number: 675-254-4

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 85.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 218

Physicochemical properties

Melting point: 132 °C · 132°C
storage temp.: 2 · 2-8°C, stored under nitrogen
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 233 · P233-P261-P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P309+P311

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
Hazard statements: H302-H315-H319-H335
Precautionary statements: P233-P261-P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P309+P311

Chemistry & industry

Applications

Uses3-Hydroxy-5-trifluoromethylthiophene-2-carboxylic Acid is one of the starting materials for preparation of indazolyl ester and amide derivatives.