4-Hydroxy-3-nitrobenzoic acid ethyl ester
Properties
- Molecular formula
- C9H9NO5
- Molar mass
- 211.17 g/mol
- Exact mass
- 211.0481 Da
- Melting point
- 72–74 °C
- logP
- 1.48Crippen estimate
- Polar surface area
- 89.7 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 4 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
19013-10-6SMILES
CCOC(=O)c1ccc(O)c([N+](=O)[O-])c1InChIKey
FBHJNBWUGONVNS-UHFFFAOYSA-NInChI
InChI=1S/C9H9NO5/c1-2-15-9(12)6-3-4-8(11)7(5-6)10(13)14/h3-5,11H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester
- Ethyl 4-hydroxy-3-nitrobenzoate
- Ethyl 3-nitro-4-hydroxybenzoate
- 4-(Ethoxycarbonyl)-2-nitrophenol
Work with 4-Hydroxy-3-nitrobenzoic acid ethyl ester
Similar compounds
Ethyl 4-chloro-3-nitrobenzoate16588-16-271 % similar
Methyl 4-hydroxy-3-nitrobenzoate99-42-370 % similar
Ethyl 4-fluoro-3-nitrobenzoate367-80-670 % similar
4-Ethoxycarbonyl-2-nitrophenylboronic acid5785-70-669 % similar
Ethyl protocatechuate3943-89-366 % similar
Ethyl 4-nitrobenzoate99-77-461 % similar
4-Hydroxy-3-nitroacetophenone6322-56-160 % similar
Ethyl m-nitrobenzoate618-98-460 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.