4-Fluorobenzamidine

C₇H₇FN₂CAS 2339-59-5138.15 g/mol

Open in Covalent MOL file

Amidine Aryl halide

Properties

Molecular formula: C₇H₇FN₂
Molar mass: 138.15 g/mol
Exact mass: 138.0593 Da
logP: 1.11Crippen estimate
Polar surface area: 49.9 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

2339-59-5

SMILES

N=C(N)c1ccc(F)cc1

InChIKey

OSTGTIZRQZOYAH-UHFFFAOYSA-N

InChI

InChI=1S/C7H7FN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)

Weigh it out

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

Names and synonyms

4 names

Benzenecarboximidamide, 4-fluoro-
Benzamidine, p-fluoro-
4-Fluorobenzenecarboximidamide
p-Fluorobenzamidine

Work with 4-Fluorobenzamidine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Fluorobenzamidine hydrochloride456-14-4Salt

Similar compounds

4-Fluorobenzamide824-75-952 % similar p-Aminobenzamidine dihydrochloride2498-50-252 % similar 4-(Trifluoromethyl)benzamidine Hydrochloride38980-96-052 % similar Pentamidine100-33-450 % similar 4-Chlorobenzamidine hydroiodide115297-57-950 % similar 4-Chlorobenzamidine hydrochloride14401-51-550 % similar Benzamidine hydrochloride1670-14-050 % similar 4-Fluorothiobenzamide22179-72-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook