2,5-Xylidine
Properties
- Molecular formula
- C8H11N
- Molar mass
- 121.18 g/mol
- Exact mass
- 121.0891 Da
- Density
- 0.979 g/mL (at 21 °C)
- Melting point
- 15.5 °C
- Boiling point
- 214 °C
- pKa
- 4.53 (conjugate acid, 25 °C)
- Flash point
- 93 °C
- Water solubility
- 5.6 g/L (12 °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 inhaled37.6% of notifiers
- H301 Toxic if swallowed90.1% of notifiers
- H311 Toxic in contact with skin90.1% of notifiers
- H331 Toxic if inhaled90.1% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure97% of notifiers
- H411 Toxic to aquatic life with long lasting effects91.1% of notifiers
Aggregated from 101 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
95-78-3SMILES
Cc1ccc(C)c(N)c1InChIKey
VOWZNBNDMFLQGM-UHFFFAOYSA-NInChI
InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)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, 2,5-dimethyl-
- 2,5-Dimethylbenzenamine
- 1-Amino-2,5-dimethylbenzene
- p-Xylidine
- 2,5-Dimethylaniline
- 3-Amino-1,4-dimethylbenzene
- 2-Amino-1,4-xylene
- 5-Amino-1,4-dimethylbenzene
- 2,5-Dimethylphenylamine
- NSC 7639
Work with 2,5-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
Similar compounds
2,4-Xylidine95-68-167 % similar
3,4-Diaminotoluene496-72-065 % similar
2-Iodo-5-methylbenzenamine13194-69-962 % similar
2,4-Diaminotoluene95-80-760 % similar
2,4-Dimethylaniline hydrochloride21436-96-459 % similar
5-Iodo-o-toluidine83863-33-658 % similar
1,2,4-Trimethylbenzene95-63-657 % similar
3-Amino-4-methylphenol2836-00-256 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.