M-Phenylenediamine
Properties
- Molecular formula
- C6H8N2
- Molar mass
- 108.14 g/mol
- Exact mass
- 108.0687 Da
- Density
- 1.14 g/mL
- Melting point
- 62–63 °C
- Boiling point
- 284–287 °C
- pKa
- 2.65, 4.98 (conjugate acid, 25 °C)
- Flash point
- 187 °C (closed cup)
- Water solubility
- < 1 g/L (18.9 °C)
- logP
- 0.85Crippen estimate
- Polar surface area
- 52.0 Ų
- 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 612-147-00-3), 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
108-45-2SMILES
Nc1cccc(N)c1InChIKey
WZCQRUWWHSTZEM-UHFFFAOYSA-NInChI
InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
19 names · show all
- 1,3-Benzenediamine
- C.I. Developer 11
- Developer C
- Developer H
- m-Diaminobenzene
- Direct brown BR
- Developer M
- 1,3-Diaminobenzene
- Direct brown GG
- m-Aminoaniline
- 1,3-Phenylenediamine
- m-Benzenediamine
- 3-Aminoaniline
- NSC 4776
- 1,3-Diaminophenylene
- RT 30H
- MPDA
- Maleid F
- KC 16765
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 108-45-2. Each row opens the sheet with its composition and PDF.
Work with M-Phenylenediamine
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
Boiling point under vacuumAt any pressure, from its normal boiling point
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.
Similar compounds
3-Chloroaniline108-42-963 % similar
3-Fluoroaniline372-19-063 % similar
M-Toluidine108-44-160 % similar
3,3′-Oxydianiline15268-07-260 % similar
3,3'-Diaminodiphenylmethane19471-12-660 % similar
3-Aminobiphenyl2243-47-260 % similar
3-Aminothiophenol22948-02-360 % similar
3-Bromoaniline591-19-560 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.