2-(Trifluoromethoxy)terephthalic acid
Properties
- Molecular formula
- C9H5F3O5
- Molar mass
- 250.13 g/mol
- Exact mass
- 250.0089 Da
- logP
- 1.98Crippen estimate
- Polar surface area
- 83.8 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 3
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H330 Fatal if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
175278-21-4SMILES
C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)C(=O)OInChIKey
VVTIYBRREAGBBA-UHFFFAOYSA-NInChI
InChI=1S/C9H5F3O5/c10-9(11,12)17-6-3-4(7(13)14)1-2-5(6)8(15)16/h1-3H,(H,13,14)(H,15,16)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-(Trifluoromethoxy)terephthalic acid
Similar compounds
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds