Methyl 5-(chloromethyl)-2-furoate

C7H7ClO3CAS 2144-37-8174.58 g/mol

Open in Covalent MOL file
OOClO
Alkyl halideEster

Properties

Molecular formula
C7H7ClO3
Molar mass
174.58 g/mol
Exact mass
174.0084 Da
Melting point
32.5 °C
Boiling point
136 °C (at 15 Torr)
logP
1.80Crippen estimate
Polar surface area
39.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 41 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
2144-37-8
SMILES
COC(=O)c1ccc(CCl)o1
InChIKey
PWXMEBZOKUPCST-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClO3/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3H,4H2,1H3

Weigh it out

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Names and synonyms

11 names
  • Methyl 5-chloromethyl-2-furoate
  • 2-Furancarboxylic acid, 5-(chloromethyl)-, methyl ester
  • 2-Furoic acid, 5-(chloromethyl)-, methyl ester
  • Methyl 5-(chloromethyl)furan-2-carboxylate
  • 5-Carbomethoxyfurfuryl chloride
  • Methyl 5-(chloromethyl)furoate
  • Methyl 5-chloromethyl-2-furanoate
  • NSC 117334
  • 5-(Chloromethyl)furan-2-carboxylic acid methyl ester
  • Methyl 5-chloromethyl-2-furancarboxylate
  • ST 005540

Work with Methyl 5-(chloromethyl)-2-furoate

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

Ethyl 5-(chloromethyl)-2-furancarboxylate2528-00-968 % similar 2,5-Dimethyl 2,5-furandicarboxylate4282-32-065 % similar Methyl 5-methyl-2-furancarboxylate2527-96-056 % similar Methyl 5-amino-2-furoate22600-30-254 % similar Methyl 5-bromo-2-furoate2527-99-354 % similar Methyl 4-(chloromethyl)benzoate34040-64-750 % similar Methyl 5-nitro-2-furoate1874-23-348 % similar Methyl 2-furoate611-13-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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