5-Methylfuran-2-carbonyl chloride

C₆H₅ClO₂CAS 14003-11-3144.55 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₅ClO₂
Molar mass: 144.55 g/mol
Exact mass: 143.9978 Da
logP: 1.97Crippen estimate
Polar surface area: 30.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage15.2% of notifiers
H319 Causes serious eye irritation84.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, P501

Identifiers

CAS number

14003-11-3

SMILES

CC1=CC=C(O1)C(=O)Cl

InChIKey

ZURUVZFDEVKNCE-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClO2/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3

Weigh it out

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

Work with 5-Methylfuran-2-carbonyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Acetyl-5-methylfuran1193-79-957 % similar 5-Methyl-2-furoic acid1917-15-355 % similar 1-(5-Methyl-2-furanyl)-1-propanone10599-69-652 % similar Methyl 5-methyl-2-furancarboxylate2527-96-052 % similar 5-Nitro-2-furoyl chloride25084-14-447 % similar 2,5-Dimethyl-3-furancarbonyl chloride50990-93-747 % similar 2,5-Dimethylfuran625-86-544 % similar 2-Furoyl chloride527-69-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chlorocatechol2138-22-9 Chlorohydroquinone615-67-8 2-Chlororesorcinol6201-65-6 4-Chlororesorcinol95-88-5

Elsewhere

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