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C₁₀H₇F₃O₄CAS 322-79-2248.16 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Ester

Properties

Molecular formula: C₁₀H₇F₃O₄
Molar mass: 248.16 g/mol
Exact mass: 248.0296 Da
Melting point: 121 °C
logP: 2.33Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation95.5% of notifiers
H317 May cause an allergic skin reaction90.9% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation90.9% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

322-79-2

SMILES

CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O

InChIKey

RMWVZGDJPAKBDE-UHFFFAOYSA-N

InChI

InChI=1S/C10H7F3O4/c1-5(14)17-8-4-6(10(11,12)13)2-3-7(8)9(15)16/h2-4H,1H3,(H,15,16)

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Names and synonyms

7 names

Benzoic acid, 2-(acetyloxy)-4-(trifluoromethyl)-
2,4-Cresotic acid, α,α,α-trifluoro-, acetate
2-(Acetyloxy)-4-(trifluoromethyl)benzoic acid
UR 1501
2-Acetoxy-4-(trifluoromethyl)benzoic acid
Disgren
2-Carboxy-5-(trifluoromethyl)phenyl acetate

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Similar compounds

4-(Trifluoromethyl)phthalic acid835-58-560 % similar 2,4-Bis(trifluoromethyl)benzoic acid32890-87-257 % similar Aspirin50-78-257 % similar 2-Fluoro-4-(trifluoromethyl)benzoic acid115029-24-856 % similar 2-Hydroxy-4-(trifluoromethyl)benzoic acid328-90-556 % similar 4-(Trifluoromethyl)anthranilic acid402-13-156 % similar 2-Methyl-5-(trifluoromethyl)benzoic acid13055-63-555 % similar 2-Chloro-4-trifluoromethylbenzoic acid23228-45-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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