3,6-Difluorophthalic acid
Properties
- Molecular formula
- C8H4F2O4
- Molar mass
- 202.11 g/mol
- Exact mass
- 202.0078 Da
- logP
- 1.36Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
651-97-8SMILES
C1=CC(=C(C(=C1F)C(=O)O)C(=O)O)FInChIKey
VFLMWMTWWZGXGA-UHFFFAOYSA-NInChI
InChI=1S/C8H4F2O4/c9-3-1-2-4(10)6(8(13)14)5(3)7(11)12/h1-2H,(H,11,12)(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3,6-Difluorophthalic acid
Similar compounds
2,3,6-Trifluorobenzoic acid2358-29-476 % similar
2,6-Difluorobenzoic acid385-00-275 % similar
2-Chloro-3,6-difluorobenzoic acid287172-74-170 % similar
3-Amino-2,6-difluorobenzoic acid83141-11-166 % similar
3-Fluorophthalic acid1583-67-164 % similar
3-Chloro-2,6-difluorobenzoic acid225104-76-763 % similar
3-Bromo-2,6-difluorobenzoic acid28314-81-063 % similar
2-Bromo-6-fluorobenzoic acid2252-37-162 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.