6-Methylbenzofuran
Basic information
- CAS
17059-51-7- Standard SMILES
Cc1ccc2ccoc2c1- InChIKey
QVPSBOGQLOSHJR-UHFFFAOYSA-N- Molecular formula
- C9H8O
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.05751487
Names & identifiers
- Preferred name
- 6-Methylbenzofuran
- IUPAC
- 6-methyl-1-benzofuran
- English name
- 6-methylbenzofuran
- Molecular formula
- C9H8O
- Molecular weight
- 132.16
Names & synonyms
6-Methylbenzofuran17059-51-7EINECS 241-122-6DTXSID00168891RefChem:105022DTXCID2091382241-122-66-methyl-1-benzofuranbenzofuran, 6-methyl-AZ5DFQ2E3FSCHEMBL172445SCHEMBL208143
Show more names
SCHEMBL208818SCHEMBL1307371SCHEMBL4471575SCHEMBL9588435SCHEMBL21295647AKOS016353214DB-082601CS-0282038
Database identifiers
- CAS
17059-51-7- PubChem CID
- 86929
- DTXSID
DTXSID00168891- UNII
- AZ5DFQ2E3F
- EC Number
- 241-122-6
- Nikkaji
- J318.339D
Properties
Computed structural properties
- 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
Physicochemical properties
- Boiling point
- 83.5 °C · 83.5 °C(Press: 15 Torr)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 5 DFQ2E3F · AZ5DFQ2E3F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 210 · P210-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P210-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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