4-Nitrobenzenediazonium tetrafluoroborate

C₆H₄BF₄N₃O₂CAS 456-27-9236.92 g/mol

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Nitro

Properties

Molecular formula: C₆H₄BF₄N₃O₂
Molar mass: 236.92 g/mol
Exact mass: 237.0333 Da
Density: 1.66 g/mL (at 25 °C)
Melting point: 156 °C (decomposes)
logP: 3.38Crippen estimate
Polar surface area: 71.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin97.5% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

456-27-9

SMILES

F[B-](F)(F)F.N#[N+]c1ccc([N+](=O)[O-])cc1

InChIKey

AFULQCYCQAHYIP-UHFFFAOYSA-N

InChI

InChI=1S/C6H4N3O2.BF4/c7-8-5-1-3-6(4-2-5)9(10)11;2-1(3,4)5/h1-4H;/q+1;-1

Weigh it out

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Names and synonyms

20 names · show all

Benzenediazonium, 4-nitro-, tetrafluoroborate(1-) (1:1)
Benzenediazonium, p-nitro-, tetrafluoroborate(1-)
p-Nitrobenzenediazonium fluoborate
Benzenediazonium, 4-nitro-, tetrafluoroborate(1-)
Benzenediazonium, p-nitro, tetrafluoroborate
Borate(1-), tetrafluoro-, p-nitrobenzenediazonium
Borate(1-), tetrafluoro-, 4-nitrobenzenediazonium
p-Nitrobenzenediazonium fluoroborate
p-Nitrobenzenediazonium tetrafluoroborate(1-)
p-Nitrophenyldiazonium tetrafluoroborate
4-Nitrobenzenediazonium fluoborate
p-Nitrophenyl diazonium fluoroborate
4-Nitrobenzenediazonium fluoroborate
4-Nitrophenyldiazonium tetrafluoroborate
p-Nitrobenzenediazonium tetrafluoroborate
4-Nitrobenzenediazonium tetrafluoroborate(1-)
NSC 63909
4-Nitrophenyldiazonium tetrafluoroborate(1-)
p-Nitroaphenyldiazodium tetrafluoroborate
4-Nitrobenzenediazonium tetrafluoroboride

Work with 4-Nitrobenzenediazonium tetrafluoroborate

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

1,4-Dinitrobenzene100-25-450 % similar 4-Methoxybenzenediazonium tetrafluoroborate459-64-346 % similar 4-Fluoronitrobenzene350-46-946 % similar 4,4'-Dinitro-1,1'-biphenyl1528-74-145 % similar Nitrobenzene98-95-345 % similar 4-Nitro-1,1'-biphenyl92-93-344 % similar 1,2-Bis(4-nitrophenyl)ethane736-30-143 % similar 2-Methoxy-5-nitrobenzenediazonium27165-17-942 % similar

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

Elsewhere

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