4-(Trifluoromethyl)benzamidine Hydrochloride

C₈H₈ClF₃N₂CAS 38980-96-0224.61 g/mol

Open in Covalent MOL file

Alkyl halide Amidine

Properties

Molecular formula: C₈H₈ClF₃N₂
Molar mass: 224.61 g/mol
Exact mass: 224.0328 Da
logP: 2.41Crippen estimate
Polar surface area: 49.9 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

38980-96-0

SMILES

C1=CC(=CC=C1C(=N)N)C(F)(F)F.Cl

InChIKey

DKIFMADLURULQV-UHFFFAOYSA-N

InChI

InChI=1S/C8H7F3N2.ClH/c9-8(10,11)6-3-1-5(2-4-6)7(12)13;/h1-4H,(H3,12,13);1H

Weigh it out

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

Names and synonyms

1 names

4-Trifluoromethyl-benzamidine hcl

Work with 4-(Trifluoromethyl)benzamidine 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-(Trifluoromethyl)benzamidine hydrochloride dihydrate175278-62-3Hydrate

Similar compounds

3,5-Bis(trifluoromethyl)benzamidine hydrochloride97603-94-668 % similar 4-Fluorobenzamidine hydrochloride456-14-461 % similar 6-(Trifluoromethyl)pyridine-3-amidine hydrochloride221313-11-761 % similar p-Aminobenzamidine dihydrochloride2498-50-258 % similar Benzamidine hydrochloride1670-14-057 % similar 4-Chlorobenzamidine hydrochloride14401-51-556 % similar p-Hydroxybenzamidine monohydrochloride38148-63-956 % similar 4-Bromobenzene-1-carboximidamide hydrochloride55368-42-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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