CAS 18441-43-5 5-Methylbenzofuran (HCID 33103)

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Basic information

CAS: 18441-43-5
Standard SMILES: Cc1ccc2occc2c1
InChIKey: KCZQNAOFWQGLCN-UHFFFAOYSA-N
Molecular formula: C9H8O
Average molar mass: 132.16 g/mol
Monoisotopic mass: 132.05751487

Names & identifiers

Preferred name: 5-Methylbenzofuran
IUPAC: 5-methyl-1-benzofuran
English name: 5-methylbenzofuran
Molecular formula: C9H8O
Molecular weight: 132.16

Names & synonyms

5-Methylbenzofuran18441-43-5GLM9ZJ1WW7DTXSID90171571RefChem:1073142DTXCID1094062242-318-45-methyl-1-benzofuranBenzofuran, 5-methyl-5-methyl-benzofuranMFCD00138124EINECS 242-318-4

Show more names

5-methylbenzo[b]furan5-methyl-benzo[b]furanUNII-GLM9ZJ1WW7SCHEMBL172397SCHEMBL207520SCHEMBL209082SCHEMBL317485SCHEMBL596938

Database identifiers

CAS: 18441-43-5
PubChem CID: 33103
DTXSID: DTXSID90171571
UNII: GLM9ZJ1WW7
EC Number: 242-318-4
Nikkaji: J266.176D

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 13.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 122

Physicochemical properties

Boiling point: 198 °C · 198°C (estimate)
Density: 1.0603 · 1.0603
refractive index: 1.557 · 1.5570
storage temp.: Sealed in dry,Room Temperature
FDA UNII: 9 ZJ1WW7 · GLM9ZJ1WW7
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
HS Code: 2932990090 · 2932990090