1,4-Diaminobenzene dihydrochloride

C₆H₁₀Cl₂N₂CAS 624-18-0181.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀Cl₂N₂
Molar mass: 181.06 g/mol
Exact mass: 180.0221 Da
Melting point: 275 °C
pKa: 6.2
Water solubility: ≥ 100 g/L (21.1 °C)
logP: 1.69Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H317 May cause an allergic skin reactionSensitization, Skin
H319 Causes serious eye irritationSerious eye damage/eye irritation
H331 Toxic if inhaledAcute toxicity, inhalation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-029-00-1), via PubChem.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

624-18-0

SMILES

Cl.Cl.Nc1ccc(N)cc1

InChIKey

IYXMNTLBLQNMLM-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h1-4H,7-8H2;2*1H

Weigh it out

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

Names and synonyms

12 names

P-Phenylenediamine, dihydrochloride
1,4-Benzenediamine, hydrochloride (1:2)
1,4-Benzenediamine, dihydrochloride
C.I. 76061
C.I. Oxidation base 10A
Durafur black RC
Fourrine 64
Fourrine DS
Pelagol CD
Pelagol grey CD
1,4-Phenylenediamine dihydrochloride
p-Phenylenediammonium dichloride

Work with 1,4-Diaminobenzene dihydrochloride

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.

P-Phenylenediamine106-50-3Free base 1,4-Benzenediamine sulfate16245-77-5Salt

Similar compounds

[1,1′-Biphenyl]-4,4′-diamine hydrochloride (1:2)531-85-180 % similar Benzenamine hydrochloride (1:1)142-04-169 % similar 4-Chloroaniline hydrochloride20265-96-767 % similar 4-Aminophenol hydrochloride51-78-567 % similar 4-Methylaniline hydrochloride540-23-867 % similar 4,4'-Diaminostilbene dihydrochloride54760-75-767 % similar 4,4''-Diaminoterphenyl3365-85-360 % similar 1,3,5-Triaminobenzene trihydrochloride638-09-560 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

m-Phenylenediamine hydrochloride541-69-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook