m-Phenylenediamine hydrochloride

C₆H₁₀Cl₂N₂CAS 541-69-5181.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀Cl₂N₂
Molar mass: 181.06 g/mol
Exact mass: 180.0221 Da
Melting point: 171 °C (decomposes)
Water solubility: freely soluble
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
H341 Suspected of causing genetic defectsGerm cell mutagenicity
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 612-148-00-9), via PubChem.

Precautionary statements

P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

541-69-5

SMILES

Cl.Cl.Nc1cccc(N)c1

InChIKey

SVTOYMIYCMHPIV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

1,3-Benzenediamine, hydrochloride (1:2)
m-Phenylenediamine, dihydrochloride
1,3-Benzenediamine, dihydrochloride
1,3-Diaminobenzene dihydrochloride
m-Phenylenediammonium dichloride
1,3-Phenylenediamine dihydrochloride
M-Phenylenediamine dihydrochloride

Work with m-Phenylenediamine 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.

M-Phenylenediamine108-45-2Free base 1,3-Phenylenediamine sulfate541-70-8Salt

Similar compounds

3-Chloroaniline hydrochloride141-85-568 % similar m-Aminophenol hydrochloride51-81-065 % similar 1,3,5-Triaminobenzene trihydrochloride638-09-565 % similar Benzenamine hydrochloride (1:1)142-04-163 % similar 3-Ethynylaniline hydrochloride207226-02-658 % similar N,N-Dimethyl-m-phenylenediamine dihydrochloride3575-32-458 % similar 3-Aminophenylboronic acid hydrochloride85006-23-158 % similar 3-Chloroaniline108-42-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Diaminobenzene dihydrochloride624-18-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook