2-(Chloromethyl)furan

HCID 219520CAS 617-88-9

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Basic information

Standard SMILES: ClCc1ccco1
InChIKey: GANBJDIOIDQSGI-UHFFFAOYSA-N
Molecular formula: C5H5ClO
Average molar mass: 116.54 g/mol
Monoisotopic mass: 116.00289246

Names & identifiers

Preferred name: 2-(Chloromethyl)furan
IUPAC: 2-(chloromethyl)furan
English name: 2-Chloromethylfuran
Molecular formula: C5H5ClO
Molecular weight: 116.55

Names & synonyms

2-(CHLOROMETHYL)FURAN617-88-9DTXSID60277135RefChem:84641DTXCID702282942-chloromethylfuranFURFURYL CHLORIDEFuran, 2-(chloromethyl)-NSC-9292-CHLOROMETHYL-FURANNSC9292-furylmethyl chloride

Show more names

2-(Chloromethyl)furan - 25% in THF2-(Chloromethyl)furan - 25% in THF solution2-(Chloromethyl)furan - 50% in THF solution

alpha-Furfuryl chloride2-(Chloromethyl);furanalpha-Furylmethyl chlorideFuran-2-ylmethyl chlorideSCHEMBL2816414U3Q2ZT7B3SCHEMBL5641989SCHEMBL7194947

Database identifiers

CAS: 617-88-9
PubChem CID: 219520
DTXSID: DTXSID60277135
UNII: 4U3Q2ZT7B3
Nikkaji: J603.773I

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 13.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 56

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point: 140.49 °C · 140.49°C (rough estimate)
Density: 1.1783 · 1.1783
refractive index: 1.4941 · 1.4941
PackingGroup: III

Safety & regulation

Safety data

packing_group: III

Chemistry & industry

Applications · 1 item

Uses2-(Chloromethyl)furan-d2 is an intermediate in the synthesis of 2-Methylfuran-d3 (M305441) which is the labelled form of 2-Methylfuran (M305440). 2-Methylfuran is a volatile organic compound (VOCs) used as a potential non-intrusive tool for screening of lung cancer.