2,6-Xylidine
Properties
- Molecular formula
- C8H11N
- Molar mass
- 121.18 g/mol
- Exact mass
- 121.0891 Da
- Density
- 0.9842 g/mL (at 20 °C)
- Melting point
- 11.2 °C
- Boiling point
- 216 °C
- pKa
- 3.95 (25 °C)
- Flash point
- 91 °C (closed cup)
- Water solubility
- 7 g/L (20 °C)
- logP
- 1.89Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowedAcute toxicity, oral
- H312 Harmful in contact with skinAcute toxicity, dermal
- H315 Causes skin irritationSkin corrosion/irritation
- H332 Harmful if inhaledAcute toxicity, inhalation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H351 Suspected of causing cancerCarcinogenicity
- H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 612-161-00-X), via PubChem.
Precautionary statements
P203, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
87-62-7SMILES
Cc1cccc(C)c1NInChIKey
UFFBMTHBGFGIHF-UHFFFAOYSA-NInChI
InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Benzenamine, 2,6-dimethyl-
- 2,6-Dimethylbenzenamine
- 2,6-Dimethylaniline
- o-Xylidine
- 2-Amino-1,3-dimethylbenzene
- 2-Amino-1,3-xylene
- 2-Amino-m-xylene
- 1-Amino-2,6-dimethylbenzene
- 2,6-Xylylamine
- 2,6-Dimethylphenylamine
- NSC 7098
- 2,6-Dimethylaminobenzene
Work with 2,6-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
2,3-Diaminotoluene2687-25-471 % similar
2-Bromo-6-methylaniline53848-17-268 % similar
2-Chloro-6-methylaniline87-63-868 % similar
2-Amino-3-methylphenol2835-97-465 % similar
2-Fluoro-6-methylaniline443-89-065 % similar
2-Ethyl-6-methylaniline24549-06-263 % similar
2-Methoxy-6-methylaniline50868-73-060 % similar
2-Isopropyl-6-methylaniline5266-85-360 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.