2,3-Xylidine
Properties
- Molecular formula
- C8H11N
- Molar mass
- 121.18 g/mol
- Exact mass
- 121.0891 Da
- Density
- 0.9931 g/mL (at 20 °C)
- Melting point
- below −15 °C
- Boiling point
- 221.5 °C
- pKa
- 4.7 (conjugate acid, 25 °C)
- Flash point
- 96 °C (closed cup)
- Water solubility
- 150 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 inhaled49.8% of notifiers
- H301 Toxic if swallowed99.5% of notifiers
- H311 Toxic in contact with skin99.5% of notifiers
- H331 Toxic if inhaled99% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure99% of notifiers
- H411 Toxic to aquatic life with long lasting effects99.5% of notifiers
Aggregated from 209 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
87-59-2SMILES
Cc1cccc(N)c1CInChIKey
VVAKEQGKZNKUSU-UHFFFAOYSA-NInChI
InChI=1S/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5H,9H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Benzenamine, 2,3-dimethyl-
- 2,3-Dimethylbenzenamine
- 2,3-Dimethylaniline
- o-Xylidine
- 2,3-Xylylamine
- 3-Amino-o-xylene
- 2,3-Dimethylphenylamine
Work with 2,3-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
2,6-Diaminotoluene823-40-570 % similar
1,2,3-Trimethylbenzene526-73-865 % similar
O-Toluidine95-53-464 % similar
2,3-Diaminotoluene2687-25-463 % similar
2-Amino-6-methylphenol17672-22-958 % similar
2-Fluoro-3-methylaniline1978-33-258 % similar
2-Bromo-3-methylbenzenamine54879-20-858 % similar
3-Bromo-2-methylaniline55289-36-656 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.