7-Methylbenzofuran
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Basic information
- CAS
17059-52-8- Standard SMILES
Cc1cccc2ccoc12- InChIKey
PHQXPPBIJBCIMI-UHFFFAOYSA-N- Molecular formula
- C9H8O
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.05751488
Names & identifiers
- Preferred name
- 7-Methylbenzofuran
- IUPAC
- 7-methyl-1-benzofuran
- English name
- 7-methylbenzofuran
- Molecular formula
- C9H8O
- Molecular weight
- 132.16
Names & synonyms
7-Methylbenzofuran17059-52-8GZ7272436ADTXSID60168892RefChem:1074497DTXCID7091383241-123-17-Methyl-1-benzofuranBenzofuran, 7-methyl-7-methyl-benzofuranMFCD001381257-Methylbenzo[b]furan
Show more names
UNII-GZ7272436AEINECS 241-123-17-Methyl-1-benzofuran #SCHEMBL288995SCHEMBL288996SCHEMBL3378262SCHEMBL4461803SCHEMBL4468078
Database identifiers
- CAS
17059-52-8- PubChem CID
- 33105
- DTXSID
DTXSID60168892- UNII
- GZ7272436A
- EC Number
- 241-123-1
- Nikkaji
- J109.265K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 109 °C · 109°C
- Boiling point
- 190.5 °C · 190.5°C (estimate)
- Density
- 1.049 · 1.0490
- refractive index
- 1.5525 · 1.5525
- storage temp.
- 2 · 2-8°C
- Appearance
- Light yellow to yellow Liquid
- LogP
- 3.13 · 3.130 (est)
- FDA UNII
- 7272436 A · GZ7272436A
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses7-Methylbenzofuran is an intermediate used to prepare mammalian target of rapamycin (mTOR) inhibitors.
Related reactions
41 records
Compound notes
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