Isopropyl nitrite
Properties
- Molecular formula
- C3H7NO2
- Molar mass
- 89.09 g/mol
- Exact mass
- 89.0477 Da
- Density
- 0.8684 g/mL (at 15 °C)
- Boiling point
- 40 °C
- logP
- 1.09Crippen estimate
- Polar surface area
- 38.7 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H301 Toxic if swallowed72.4% of notifiers
- H311 Toxic in contact with skin72.4% of notifiers
- H314 Causes severe skin burns and eye damage27.6% of notifiers
- H315 Causes skin irritation72.4% of notifiers
- H317 May cause an allergic skin reaction27.6% of notifiers
- H318 Causes serious eye damage27.6% of notifiers
- H319 Causes serious eye irritation72.4% of notifiers
- H330 Fatal if inhaled100% of notifiers
- H335 May cause respiratory irritation72.4% of notifiers
- H341 Suspected of causing genetic defects27.6% of notifiers
Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
541-42-4SMILES
CC(C)ON=OInChIKey
SKRDXYBATCVEMS-UHFFFAOYSA-NInChI
InChI=1S/C3H7NO2/c1-3(2)6-4-5/h3H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Nitrous acid, 1-methylethyl ester
- Nitrous acid, isopropyl ester
Work with Isopropyl nitrite
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
Isobutyl nitrite542-56-338 % similar
Diisopropylphosphite1809-20-736 % similar
Methyl nitrite624-91-935 % similar
Isoamyl nitrite110-46-335 % similar
Diisopropyl ether108-20-333 % similar
Diisopropyl azodicarboxylate2446-83-532 % similar
tert-Butyl nitrite540-80-732 % similar
Ethyl nitrite109-95-530 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.