4-Fluorobenzamidine hydrochloride

C₇H₈ClFN₂CAS 456-14-4174.60 g/mol

Open in Covalent MOL file

Amidine Aryl halide

Properties

Molecular formula: C₇H₈ClFN₂
Molar mass: 174.60 g/mol
Exact mass: 174.0360 Da
logP: 1.53Crippen estimate
Polar surface area: 49.9 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

456-14-4

SMILES

Cl.N=C(N)c1ccc(F)cc1

InChIKey

JQDATBKJKUWNGA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzenecarboximidamide, 4-fluoro-, hydrochloride (1:1)
Benzamidine, p-fluoro-, hydrochloride
Benzenecarboximidamide, 4-fluoro-, monohydrochloride
p-Fluorobenzamidine monohydrochloride

Work with 4-Fluorobenzamidine hydrochloride

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-Fluorobenzamidine2339-59-5Free base

Similar compounds

p-Aminobenzamidine dihydrochloride2498-50-262 % similar 4-(Trifluoromethyl)benzamidine Hydrochloride38980-96-061 % similar Benzamidine hydrochloride1670-14-061 % similar 4-Chlorobenzamidine hydrochloride14401-51-560 % similar p-Hydroxybenzamidine monohydrochloride38148-63-960 % similar 4-Bromobenzene-1-carboximidamide hydrochloride55368-42-860 % similar 4-Methylbenzamidine hydrochloride6326-27-860 % similar Biphenyl-4-carboxamidine hydrochloride111082-23-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook