2-Fluorophenyl isothiocyanate

C7H4FNSCAS 38985-64-7153.17 g/mol

Open in Covalent MOL file
FNS
Aryl halideIsothiocyanate

Properties

Molecular formula
C7H4FNS
Molar mass
153.17 g/mol
Exact mass
153.0048 Da
logP
2.56Crippen estimate
Polar surface area
12.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number
38985-64-7
SMILES
Fc1ccccc1N=C=S
InChIKey
OAGDRIUTLPDSMJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1-fluoro-2-isothiocyanato-
  • 1-Fluoro-2-isothiocyanatobenzene
  • o-Fluorophenyl isothiocyanate
  • NSC 129257
  • 2-Fluoro-2-isothiocyanatobenzene

Work with 2-Fluorophenyl isothiocyanate

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

2,6-Difluorophenyl isothiocyanate207974-17-261 % similar 2-Fluorophenyl isocyanate16744-98-259 % similar 2,4-Difluoro-1-isothiocyanatobenzene141106-52-758 % similar 2,5-Difluorophenyl isothiocyanate206559-57-158 % similar 1-Bromo-2-isothiocyanatobenzene13037-60-055 % similar 2-Chlorophenyl isothiocyanate2740-81-053 % similar 2-Methylphenyl isothiocyanate614-69-753 % similar 2-Iodophenyl isothiocyanate98041-44-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluorobenzothiazole1123-98-4 4-Fluorophenyl isothiocyanate1544-68-9 3-Fluorophenyl isothiocyanate404-72-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook