P-Phenylenediamine
Properties
- Molecular formula
- C6H8N2
- Molar mass
- 108.14 g/mol
- Exact mass
- 108.0687 Da
- Density
- 1.1 g/mL
- Melting point
- 145–147 °C
- Boiling point
- 267 °C
- Flash point
- 156 °C (closed cup)
- Water solubility
- 40 g/L (25 °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
- 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 612-028-00-6), 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
106-50-3SMILES
Nc1ccc(N)cc1InChIKey
CBCKQZAAMUWICA-UHFFFAOYSA-NInChI
InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
43 names · show all
- 1,4-Benzenediamine
- C.I. 76060
- BASF Ursol D
- Benzofur D
- C.I. Developer 13
- C.I. Oxidation base 10
- Developer PF
- p-Diaminobenzene
- Durafur black R
- Fouramine D
- Fourrine D
- Fourrine 1
- Fur black 41867
- Fur brown 41866
- Furro D
- Fur yellow
- Futramine D
- Nako H
- Orsin
- Pelagol D
- Pelagol DR
- Pelagol grey D
- Peltol D
- Renal PF
- Tertral D
- Ursol D
- Zoba black D
- 4-Aminoaniline
- p-Aminoaniline
- p-Benzenediamine
- 1,4-Diaminobenzene
- 1,4-Phenylenediamine
- 1,4-Diaminobenzol
- PPD
- Black for fur D
- Rodol DJ
- NSC 4777
- (4-Aminophenyl)amine
- Rodol D
- 4-Phenylenediamine
- Paramine
- PDA
- pPDA
Work with P-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
4,4''-Diaminoterphenyl3365-85-375 % similar
Benzidine92-87-575 % similar
4,4′-Ethylenedianiline621-95-464 % similar
Polyaniline25233-30-162 % similar
Aniline62-53-362 % similar
4,4′-Methylenedianiline101-77-960 % similar
4,4′-Diaminodiphenyl ether101-80-460 % similar
4-Bromoaniline106-40-160 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.