4-Chlorobenzamidine hydrochloride

C₇H₈Cl₂N₂CAS 14401-51-5191.06 g/mol

Open in Covalent MOL file

Amidine Aryl halide

Properties

Molecular formula: C₇H₈Cl₂N₂
Molar mass: 191.06 g/mol
Exact mass: 190.0065 Da
Melting point: 241–242 °C
logP: 2.05Crippen estimate
Polar surface area: 49.9 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed20% of notifiers
H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled20% of notifiers
H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation80% of notifiers
H317 May cause an allergic skin reaction20% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

14401-51-5

SMILES

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

InChIKey

RXAOGVQDNBYURA-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClN2.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

9 names

Benzenecarboximidamide, 4-chloro-, hydrochloride (1:1)
Benzamidine, p-chloro-, monohydrochloride
Benzenecarboximidamide, 4-chloro-, monohydrochloride
Benzamidine, p-chloro-, hydrochloride
p-Chlorobenzamidine hydrochloride
4-Chlorophenylamidine hydrochloride
4-Chlorobenzenecarboximidamide monohydrochloride
4-Chlorobenzenecarboximidamide hydrochloride
4-Chlorobenzene-1-carboximidamide hydrochloride

Work with 4-Chlorobenzamidine 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-Chlorobenzamidine hydroiodide115297-57-9Salt

Similar compounds

p-Aminobenzamidine dihydrochloride2498-50-262 % similar Benzamidine hydrochloride1670-14-061 % similar p-Hydroxybenzamidine monohydrochloride38148-63-960 % similar 4-Fluorobenzamidine hydrochloride456-14-460 % similar 4-Bromobenzene-1-carboximidamide hydrochloride55368-42-860 % similar 4-Methylbenzamidine hydrochloride6326-27-860 % similar Biphenyl-4-carboxamidine hydrochloride111082-23-658 % similar 4-(Trifluoromethyl)benzamidine Hydrochloride38980-96-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook