2,4-Xylidine
Properties
- Molecular formula
- C8H11N
- Molar mass
- 121.18 g/mol
- Exact mass
- 121.0891 Da
- Density
- 0.9723 g/mL (at 20 °C)
- Melting point
- −14.3 °C
- Boiling point
- 214 °C
- pKa
- 4.89 (conjugate acid, 25 °C)
- Flash point
- 90 °C
- Water solubility
- 5 g/L (20 °C)
- logP
- 1.89Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled18.3% of notifiers
- H301+H311 Toxic if swallowed or in contact with skin50% of notifiers
- H301 Toxic if swallowed99.5% of notifiers
- H311 Toxic in contact with skin99.5% of notifiers
- H319 Causes serious eye irritation53.4% of notifiers
- H330 Fatal if inhaled53.8% of notifiers
- H331 Toxic if inhaled46.6% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure99% of notifiers
- H411 Toxic to aquatic life with long lasting effects100% of notifiers
Aggregated from 208 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P337+P317, P361+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
95-68-1SMILES
Cc1ccc(N)c(C)c1InChIKey
CZZZABOKJQXEBO-UHFFFAOYSA-NInChI
InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Benzenamine, 2,4-dimethyl-
- 2,4-Dimethylbenzenamine
- 2,4-Dimethylaniline
- 1-Amino-2,4-dimethylbenzene
- 4-Amino-1,3-dimethylbenzene
- 4-Amino-1,3-xylene
- m-Xylidine
- 2,4-Dimethylphenylamine
- 2,4-Xylylamine
- NSC 7640
Work with 2,4-Xylidine
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
2,5-Xylidine95-78-367 % similar
3,4-Diaminotoluene496-72-065 % similar
Tolidine119-93-763 % similar
2-Iodo-4-methylaniline29289-13-262 % similar
2,5-Diaminotoluene95-70-560 % similar
4-Iodo-2-methylaniline13194-68-858 % similar
2-Chloro-4-methylaniline615-65-658 % similar
4-Chloro-o-toluidine95-69-258 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.