Basic information
- CAS
60826-62-2- Standard SMILES
Cc1cccc2c1oc1ccccc12- InChIKey
XLTFRTTTZWMJJQ-UHFFFAOYSA-N- Molecular formula
- C13H10O
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.07316494
Overview
4-methyldibenzofuran has been reported in Arctostaphylos uva-ursi with data available.
Names & identifiers
- Preferred name
- Dibenzofuran, 4-methyl-
- IUPAC
- 4-methyldibenzofuran
- English name
- 4-METHYLDIBENZOFURAN
- Molecular formula
- C13H10O
- Molecular weight
- 182.22
Names & synonyms
Dibenzofuran, 4-methyl-RefChem:5864104-Methyldibenzofuran4-Methyldibenzo[b,d]furan7320-53-8FA4D1EJ7S360826-62-2UNII-FA4D1EJ7S3EINECS 230-792-5Dibenzofuran, methyl-Dibenzofuran, 4-methyI-SCHEMBL12108
Show more names
4-methyldibenzofuran, 95% (HPLC)
4-Methyldibenzo[b,d]furan #SCHEMBL195329SCHEMBL21295668SCHEMBL21295795SCHEMBL21295813SCHEMBL21295865SCHEMBL212961394-Methyldibenzofuran in isooctane
Database identifiers
- CAS
60826-62-2、7320-53-8- PubChem CID
- 43489
- DTXSID
DTXSID00976296- UNII
- FA4D1EJ7S3
- EC Number
- 230-792-5
- Nikkaji
- J109.266I
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Experimental & physicochemical properties
PolymersPolycyclic aromatic compound
Physicochemical properties
- Melting point
- 45 ℃ · 45℃
- Boiling point
- 100 °C · 100 °C(Press: 0.1 Torr)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- FDA UNII
- 4 D1EJ7S3 · FA4D1EJ7S3
Safety & regulation
Hazard information
Regulatory InformationDibenzofuran, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Related reactions
4 records
Compound notes
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