1-Ethynyl-4-nitrobenzene
Properties
- Molecular formula
- C8H5NO2
- Molar mass
- 147.13 g/mol
- Exact mass
- 147.0320 Da
- Melting point
- 147–148 °C
- logP
- 1.58Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H335 May cause respiratory irritation33.3% of notifiers
Aggregated from 3 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
937-31-5SMILES
C#Cc1ccc([N+](=O)[O-])cc1InChIKey
GAZZTEJDUGESGQ-UHFFFAOYSA-NInChI
InChI=1S/C8H5NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Benzene, 1-ethynyl-4-nitro-
- (p-Nitrophenyl)acetylene
- p-Ethynylnitrobenzene
- (4-Nitrophenyl)ethyne
- (4-Nitrophenyl)acetylene
- 4-Ethynylnitrobenzene
- 1-Nitro-4-ethynylbenzene
- 4-Ethynyl-1-nitrobenzene
- p-Nitroethynylbenzene
- NSC 71089
- 4-Nitroethynylbenzene
Work with 1-Ethynyl-4-nitrobenzene
Similar compounds
1,4-Dinitrobenzene100-25-463 % similar
4-Nitrobenzonitrile619-72-760 % similar
4,4'-Dinitro-1,1'-biphenyl1528-74-156 % similar
1,2-Bis(4-nitrophenyl)ethane736-30-152 % similar
4-Nitrochlorobenzene100-00-550 % similar
4-Nitroaniline100-01-650 % similar
4-Nitrophenol100-02-750 % similar
Bis(4-nitrophenyl) disulfide100-32-350 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.