Methyl 5-nitro-2-furoate

C₆H₅NO₅CAS 1874-23-3171.11 g/mol

Open in Covalent MOL file

Ester Nitro

Properties

Molecular formula: C₆H₅NO₅
Molar mass: 171.11 g/mol
Exact mass: 171.0168 Da
Melting point: 192.5–194 °C
logP: 0.97Crippen estimate
Polar surface area: 82.6 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation20% of notifiers
H319 Causes serious eye irritation20% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation20% of notifiers
H341 Suspected of causing genetic defects80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1874-23-3

SMILES

COC(=O)c1ccc([N+](=O)[O-])o1

InChIKey

UTLKCGPAJUYGOM-UHFFFAOYSA-N

InChI

InChI=1S/C6H5NO5/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

2-Furancarboxylic acid, 5-nitro-, methyl ester
2-Furoic acid, 5-nitro-, methyl ester
Methyl 5-nitropyromucate
Methyl 5′-nitropyromucate
5-Nitro-2-carbomethoxyfuran
Methyl 5-nitrofuran-2-carboxylate
5-Nitro-2-(methoxycarbonyl)furan
Methyl 5-nitro-2-furylcarboxylate
5-Nitro-2-furoic acid methyl ester
NSC 6457

Work with Methyl 5-nitro-2-furoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dimethyl 2,5-furandicarboxylate4282-32-061 % similar 5-Nitro-2-furoyl chloride25084-14-456 % similar 5-Nitro-2-furoic acid645-12-556 % similar Methyl 2-nitrobenzoate606-27-954 % similar Methyl 5-methyl-2-furancarboxylate2527-96-053 % similar Methyl 4-nitrobenzoate619-50-153 % similar Methyl 5-nitro-2-thiophenecarboxylate5832-01-952 % similar Methyl 5-amino-2-furoate22600-30-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Nitrophloroglucinol16600-92-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook