2,5-Dimethyl-3-furancarbonyl chloride
Properties
- Molecular formula
- C7H7ClO2
- Molar mass
- 158.58 g/mol
- Exact mass
- 158.0135 Da
- Melting point
- 20 °C
- Boiling point
- 87–89 °C
- logP
- 2.28Crippen estimate
- Polar surface area
- 30.2 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H314 Causes severe skin burns and eye damage97.8% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501
Identifiers
CAS number
50990-93-7SMILES
Cc1cc(C(=O)Cl)c(C)o1InChIKey
RWORXZHVOUPMMM-UHFFFAOYSA-NInChI
InChI=1S/C7H7ClO2/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- 3-Furancarbonyl chloride, 2,5-dimethyl-
- 2,5-Dimethyl-3-furoyl chloride
Work with 2,5-Dimethyl-3-furancarbonyl chloride
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
5-(tert-Butyl)-2-methylfuran-3-carbonyl chloride96543-75-860 % similar
3-Acetyl-2,5-dimethylfuran10599-70-959 % similar
2,5-Dimethyl-3-furancarboxylic acid636-44-258 % similar
2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-749 % similar
5-Methyl-1,2-oxazole-4-carbonyl chloride67305-24-249 % similar
5-Methylfuran-2-carbonyl chloride14003-11-347 % similar
5-Methylisoxazole-3-carbonyl chloride39499-34-844 % similar
2,4-Dimethylbenzoyl chloride21900-42-541 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.