2-Nitroethanol

C₂H₅NO₃CAS 625-48-991.07 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₅NO₃
Molar mass: 91.07 g/mol
Exact mass: 91.0269 Da
Density: 1.309 g/mL (at 13.3 °C)
Melting point: −80 °C
Boiling point: 194 °C
Flash point: 112.8 °C
Water solubility: < 1 g/L (21.1 °C)
logP: -0.74Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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

625-48-9

SMILES

O=[N+]([O-])CCO

InChIKey

KIPMDPDAFINLIV-UHFFFAOYSA-N

InChI

InChI=1S/C2H5NO3/c4-2-1-3(5)6/h4H,1-2H2

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

Names and synonyms

4 names

Ethanol, 2-nitro-
β-Nitroethanol
NSC 16151
2-Nitroethan-1-ol

Reactions

2-NITROETHANOL (Ethanol, 2-nitro-)product

Work with 2-Nitroethanol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Beta-nitropropionic acid504-88-144 % similar 1-Nitrobutane627-05-444 % similar Bromonitromethane563-70-239 % similar Nitroethane79-24-339 % similar 2-(4-Nitrophenyl)ethanol100-27-631 % similar Ethyl nitroacetate626-35-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl nitrate625-58-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook