1-Ethynyl-3-nitrobenzene
Properties
- Molecular formula
- C8H5NO2
- Molar mass
- 147.13 g/mol
- Exact mass
- 147.0320 Da
- Melting point
- 27 °C
- Boiling point
- 120 °C (at 11 Torr)
- logP
- 1.58Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled25% of notifiers
- H301+H311 Toxic if swallowed or in contact with skin25% of notifiers
- H301 Toxic if swallowed25% of notifiers
- H304 May be fatal if swallowed and enters airways25% of notifiers
- H311 Toxic in contact with skin25% of notifiers
- H315 Causes skin irritation75% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H330 Fatal if inhaled25% of notifiers
- H331 Toxic if inhaled25% of notifiers
- H335 May cause respiratory irritation75% of notifiers
- H351 Suspected of causing cancer25% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P320, P321, P330, P331, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3034-94-4SMILES
C#Cc1cccc([N+](=O)[O-])c1InChIKey
JOUOQPWPDONKKS-UHFFFAOYSA-NInChI
InChI=1S/C8H5NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h1,3-6HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzene, 1-ethynyl-3-nitro-
- m-Nitrophenylacetylene
- (m-Nitrophenyl)ethyne
- 3-Nitrophenylacetylene
- 3-Nitroethynylbenzene
Work with 1-Ethynyl-3-nitrobenzene
Similar compounds
3-Nitrobenzonitrile619-24-965 % similar
1,3-Dinitrobenzene99-65-062 % similar
3-Nitrochlorobenzene121-73-353 % similar
1-Fluoro-3-nitrobenzene402-67-553 % similar
1,3-Diethynylbenzene1785-61-152 % similar
3-Nitrobiphenyl2113-58-851 % similar
Bis(3-nitrophenyl) disulfide537-91-751 % similar
3-Nitrophenol554-84-751 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds