4-Nitrostyrene

C₈H₇NO₂CAS 100-13-0149.15 g/mol

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Properties

Molecular formula: C₈H₇NO₂
Molar mass: 149.15 g/mol
Exact mass: 149.0477 Da
Melting point: 18–19 °C
Boiling point: 87 °C (at 2 Torr)
logP: 2.24Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled14.3% of notifiers
H302 Harmful if swallowed71.4% of notifiers
H312 Harmful in contact with skin71.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled71.4% of notifiers
H335 May cause respiratory irritation14.3% of notifiers
H341 Suspected of causing genetic defects71.4% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

100-13-0

SMILES

C=Cc1ccc([N+](=O)[O-])cc1

InChIKey

YFZHODLXYNDBSM-UHFFFAOYSA-N

InChI

InChI=1S/C8H7NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2

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Names and synonyms

8 names

Benzene, 1-ethenyl-4-nitro-
Styrene, p-nitro-
1-Ethenyl-4-nitrobenzene
p-Nitrostyrene
1-Nitro-4-vinylbenzene
(4-Nitrophenyl)ethene
4-Vinylnitrobenzene
4-Nitrophenylethylene

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 100-13-0. Each row opens the sheet with its composition and PDF.

4-Nitrostyrene ≤ 100 %Fisher Scientific · 2025-12-23

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Work with 4-Nitrostyrene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4'-Dinitrostilbene2501-02-267 % similar 1,4-Dinitrobenzene100-25-463 % similar 3-Nitrostyrene586-39-063 % similar 4-Nitrobenzaldehyde555-16-862 % similar 4,4'-Dinitro-1,1'-biphenyl1528-74-156 % similar 4-Nitrobenzaldehyde oxime1129-37-955 % similar 4-Nitrocinnamaldehyde1734-79-855 % similar 4-Nitrocinnamaldehyde49678-08-255 % similar

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

Same formula

β-Nitrostyrene102-96-5 3-(3-Pyridinyl)-2-propenoic acid1126-74-5 3-Methoxyphenyl isocyanate18908-07-1 trans-3-(3-Pyridyl)acrylic acid19337-97-4 3-Methylbenzo[d]oxazol-2(3H)-one21892-80-8 5,6-Dihydroxyindole3131-52-0 5-Hydroxyoxindole3416-18-0 4-Hydroxy-3-methoxybenzonitrile4421-08-3

Elsewhere

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