2-Bromo-4,6-difluorophenyl isocyanate

C₇H₂BrF₂NOCAS 190774-48-2234.00 g/mol

Open in Covalent MOL file

Aryl halide Isocyanate

Properties

Molecular formula: C₇H₂BrF₂NO
Molar mass: 234.00 g/mol
Exact mass: 232.9288 Da
logP: 2.69Crippen estimate
Polar surface area: 29.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

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

190774-48-2

SMILES

C1=C(C=C(C(=C1F)N=C=O)Br)F

InChIKey

NPRYGRLJCFTSBA-UHFFFAOYSA-N

InChI

InChI=1S/C7H2BrF2NO/c8-5-1-4(9)2-6(10)7(5)11-3-12/h1-2H

Weigh it out

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

Work with 2-Bromo-4,6-difluorophenyl 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

2,4-Difluorophenyl isocyanate59025-55-749 % similar 1,2-Dibromo-3,5-difluorobenzene10105-60-947 % similar 1-Bromo-2,3,5-trifluorobenzene133739-70-547 % similar 1,2-Dibromo-3,5-difluorobenzene139215-43-347 % similar 2,6-Difluorophenyl isocyanate65295-69-446 % similar 1,4-Difluoro-2-isocyanatobenzene39718-32-645 % similar 2-Bromo-4,6-difluoroiodobenzene175278-11-244 % similar 1,3,5-Trifluoro-2-isothiocyanatobenzene206761-91-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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