Ethyl 3,4-difluorobenzoate
Properties
- Molecular formula
- C9H8F2O2
- Molar mass
- 186.16 g/mol
- Exact mass
- 186.0492 Da
- logP
- 2.14Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
144267-96-9SMILES
CCOC(=O)c1ccc(F)c(F)c1InChIKey
NKIWNSXGZXESSM-UHFFFAOYSA-NInChI
InChI=1S/C9H8F2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzoic acid, 3,4-difluoro-, ethyl ester
- 3,4-Difluorobenzoic acid ethyl ester
Work with Ethyl 3,4-difluorobenzoate
Similar compounds
Ethyl 3-amino-4-fluorobenzoate455-75-473 % similar
Ethyl 2-(3,4-difluorophenyl)-2-oxoacetate73790-05-366 % similar
Diethyl terephthalate636-09-965 % similar
Ethyl 4-fluoro-3-nitrobenzoate367-80-664 % similar
Methyl 3,4-difluorobenzoate369-25-563 % similar
Ethyl 4-fluorobenzoate451-46-763 % similar
Ethyl 3-fluorobenzoate451-02-562 % similar
1,3-Diethyl 1,3-benzenedicarboxylate636-53-362 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.