2,4-Dimethylpyrrole

C₆H₉NCAS 625-82-195.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₉N
Molar mass: 95.14 g/mol
Exact mass: 95.0735 Da
Density: 0.9236 g/mL (at 420 °C)
Melting point: 175 °C
Boiling point: 168 °C
logP: 1.63Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed70.5% of notifiers
H315 Causes skin irritation30.2% of notifiers
H318 Causes serious eye damage69.8% of notifiers
H319 Causes serious eye irritation30.2% of notifiers
H335 May cause respiratory irritation29.5% of notifiers
H411 Toxic to aquatic life with long lasting effects69.8% of notifiers

Aggregated from 149 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

625-82-1

SMILES

Cc1c[nH]c(C)c1

InChIKey

MFFMQGGZCLEMCI-UHFFFAOYSA-N

InChI

InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names

1H-Pyrrole, 2,4-dimethyl-
Pyrrole, 2,4-dimethyl-
2,4-Dimethyl-1H-pyrrole
NSC 81347
2,4-Dimethyl-1-pyrrole
2,4-Dimethyl-3H-pyrrole

Reactions

2,4-DIMETHYLPYRROLE (Pyrrole, 2,4-dimethyl-)product

Work with 2,4-Dimethylpyrrole

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-Amino-5-methylpyridine1603-41-442 % similar 3-Bromo-2-hydroxy-5-methylpyridine17282-02-941 % similar 4-Methylpyrrole-2-carboxylic acid18711-59-641 % similar 4,6-Dimethylpyridin-2-ol16115-08-541 % similar 4-Amino-2-methylpyridine18437-58-641 % similar 4-Hydroxy-2-methylpyridine18615-86-641 % similar 3-Methylpyrrole616-43-339 % similar Mesitylene108-67-837 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclopentanecarbonitrile4254-02-8 5-Hexenenitrile5048-19-1 2,2-Dimethylcyclopropanecarbonitrile5722-11-2 1-Ethyl-1H-pyrrole617-92-5 2,5-Dimethylpyrrole625-84-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook