2-Methyl-5-phenyl-3-furaldehyde

HCID 2795313CAS 321309-42-6
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1oc(-c2ccccc2)cc1C=O
InChIKey
QRBXYIYZWZGINC-UHFFFAOYSA-N
Molecular formula
C12H10O2
Average molar mass
186.21 g/mol
Monoisotopic mass
186.06807956

Names & identifiers

Preferred name
2-Methyl-5-phenyl-3-furaldehyde
IUPAC
2-methyl-5-phenylfuran-3-carbaldehyde
English name
2-Methyl-5-phenyl-3-furaldehyde
Molecular formula
C12H10O2
Molecular weight
186.21

Names & synonyms

2-methyl-5-phenyl-3-furaldehyde321309-42-62-methyl-5-phenylfuran-3-carbaldehyde2-methyl-5-phenyl-3-furancarboxaldehydeSCHEMBL3104199DTXSID80383621QRBXYIYZWZGINC-UHFFFAOYSA-NSBB090408AKOS006343244MS-22142DB-0481633-Furancarboxaldehyde, 2-methyl-5-phenyl-

Database identifiers

CAS
321309-42-6
PubChem CID
2795313
DTXSID
DTXSID80383621

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
30.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Melting point
49 °C · 49 °C
Boiling point
302.6 · 302.6±30.0 °C(Predicted)
Density
1.125 · 1.125±0.06 g/cm3(Predicted)
Hazard Codes
Xn
Risk Statements
36 · 36/37/38-36-22
Safety Statements
26 · 26-36/37/39

Safety & regulation

Safety data

risk_code
36/37/38-36-22
hazard_code
Xn
safety_code
26-36/37/39

Chemistry & industry

Suppliers5 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

11 records
New reaction record

Linked notes

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