2-Fluoro-5-nitrophenyl isocyanate

C₇H₃FN₂O₃CAS 68622-14-0182.11 g/mol

Open in Covalent MOL file

Aryl halide Isocyanate Nitro

Properties

Molecular formula: C₇H₃FN₂O₃
Molar mass: 182.11 g/mol
Exact mass: 182.0128 Da
logP: 1.70Crippen estimate
Polar surface area: 72.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

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 39 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

68622-14-0

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])N=C=O)F

InChIKey

XCDYDLFUPMSLGZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H3FN2O3/c8-6-2-1-5(10(12)13)3-7(6)9-4-11/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Fluoro-5-nitrophenyl isocyanate

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

3,4-Difluoronitrobenzene369-34-658 % similar 4-Nitrophenyl isocyanate100-28-755 % similar 1,4-Difluoro-2-isocyanatobenzene39718-32-655 % similar 1-Fluoro-2,4-dinitrobenzene70-34-855 % similar 3-Nitrophenyl isocyanate3320-87-455 % similar 2-Fluoro-5-methylphenyl isocyanate190774-50-653 % similar 3-Chloro-4-fluoronitrobenzene350-30-153 % similar 2-Fluoro-5-nitrobenzenamine369-36-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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