3,4,5-Trichlorobenzoic acid
Properties
- Molecular formula
- C7H3Cl3O2
- Molar mass
- 225.45 g/mol
- Exact mass
- 223.9199 Da
- Melting point
- 210–210.5 °C
- logP
- 3.35Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% 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
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
51-39-8SMILES
O=C(O)c1cc(Cl)c(Cl)c(Cl)c1InChIKey
ICUICNRYLHKQGS-UHFFFAOYSA-NInChI
InChI=1S/C7H3Cl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Benzoic acid, 3,4,5-trichloro-
Work with 3,4,5-Trichlorobenzoic acid
Similar compounds
3,5-Dichloro-4-hydroxybenzoic acid3336-41-268 % similar
3,5-Dichloro-4-methylbenzoic acid39652-34-166 % similar
4-Amino-3,5-dichlorobenzoic acid56961-25-266 % similar
3,4-Dichlorobenzoic acid51-44-562 % similar
2,3,4,5-Tetrachlorobenzoic acid50-74-860 % similar
Trimesic acid554-95-058 % similar
3-Chloro-4,5-difluorobenzoic acid150444-95-458 % similar
3,5-Dichlorobenzoic acid51-36-557 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.