Benzoic acid, 2,3,4-trifluoro-, ethyl ester

HCID 594559

Notes Reactions

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Basic information

CAS: 351354-50-2
Standard SMILES: CCOC(=O)c1ccc(F)c(F)c1F
InChIKey: MLANUBGYWOMWLZ-UHFFFAOYSA-N
Molecular formula: C9H7F3O2
Average molar mass: 204.15 g/mol
Monoisotopic mass: 204.03981412

Names & identifiers

Preferred name: Benzoic acid, 2,3,4-trifluoro-, ethyl ester
IUPAC: ethyl 2,3,4-trifluorobenzoate
English name: ETHYL 2,3,4-TRIFLUOROBENZOATE
Molecular formula: C9H7F3O2
Molecular weight: 204.15

Names & synonyms

351354-50-2Benzoic acid, 2,3,4-trifluoro-, ethyl esterRefChem:118291Ethyl 2,3,4-trifluorobenzoateMFCD06204408Ethyl2,3,4-trifluorobenzoateSCHEMBL1958113DTXSID701014906Ethyl 2,3,4-trifluorobenzoate #SBB093254AKOS0235472642,3,4-Trifluorobenzoic acid ethyl ester

Show more names

RARECHEM AL BI 0316Benzoic acid, 2,3,4-trifluoro-, ethyl ester (9CI, ACI)

PS-10084SY0647472,3,4-Trifluorobenzoic acid, ethyl esterDB-230352CS-0159804E81995F0976172,3,4-trifluoro-Benzoic acid ethyl ester (9CI ACI)

Database identifiers

CAS: 351354-50-2
PubChem CID: 594559
DTXSID: DTXSID701014906
Nikkaji: J3.782.355D

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 210

Physicochemical properties

Boiling point: 205 · 205-207
Density: 1.304 · 1.304±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
form: liquid
color: Clear
EPA Substance Registry System: 2 · Benzoic acid, 2,3,4-trifluoro-, ethyl ester (351354-50-2)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 2916310090 · 2916310090