4-Nitrophenoxyacetonitrile
Properties
- Molecular formula
- C8H6N2O3
- Molar mass
- 178.15 g/mol
- Exact mass
- 178.0378 Da
- Melting point
- 68–70 °C
- logP
- 1.50Crippen estimate
- Polar surface area
- 76.2 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% 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, 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
33901-46-1SMILES
N#CCOc1ccc([N+](=O)[O-])cc1InChIKey
HFRYXZNUOFIXGS-UHFFFAOYSA-NInChI
InChI=1S/C8H6N2O3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,6H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 2-(4-Nitrophenoxy)acetonitrile
- Acetonitrile, 2-(4-nitrophenoxy)-
- Acetonitrile, (p-nitrophenoxy)-
- Acetonitrile, (4-nitrophenoxy)-
- (4-Nitrophenoxy)acetonitrile
Work with 4-Nitrophenoxyacetonitrile
Similar compounds
P-Nitrophenetole100-29-858 % similar
4-Nitrophenylacetonitrile555-21-558 % similar
1-(2-Bromoethoxy)-4-nitrobenzene13288-06-755 % similar
2-(4-Nitrophenoxy)ethanol16365-27-855 % similar
1-(2-Chloroethoxy)-4-nitrobenzene3383-72-055 % similar
1,1′-Oxybis[4-nitrobenzene]101-63-355 % similar
2-((4-Nitrophenoxy)methyl)oxirane5255-75-454 % similar
1-Nitro-4-phenoxybenzene620-88-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds