Basic information
- CAS
29976-75-8- Standard SMILES
Cc1ccc2oc(-c3ccccc3)cc(=O)c2c1- InChIKey
NOQJBXPAMJLUSS-UHFFFAOYSA-N- Molecular formula
- C16H12O2
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.08372962
Overview
6-Methylflavone is a member of flavones.
Names & identifiers
- Preferred name
- 6-Methyl-2-phenyl-chromen-4-one
- IUPAC
- 6-methyl-2-phenylchromen-4-one
- English name
- 6-METHYLFLAVONE
- Molecular formula
- C16H12O2
- Molecular weight
- 236.27
Names & synonyms
6-Methylflavone29976-75-86-methyl-2-phenylchromen-4-oneK3JCS9D3KJ6-Methyl-2-phenyl-chromen-4-oneDTXSID40351008RefChem:105034DTXCID403020756-methyl-2-phenyl-4H-chromen-4-one6-Methyl-2-phenyl-4H-1-benzopyran-4-oneUNII-K3JCS9D3KJMFCD00017461
Show more names
METHYLFLAVONE, 6-6-METHYLFLAVONE 99%METHYLFLAVONE, 6-(RG)6-Methylflavone - Bio-X ?2-Phenyl-6-methyl-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one,6-methyl-2-phenyl-JRH-01202, 6-Methyl-2-phenyl-4H-chromen-4-one, 97%
4H-1-Benzopyran-4-one, 6-methyl-2-phenyl-Cambridge id 5479507ST069348BIDD:ER0442SCHEMBL4648879HMS1440M05CCG-250475NCGC00142612-01
Database identifiers
- CAS
29976-75-8- PubChem CID
- 689013
- DTXSID
DTXSID40351008
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Melting point
- 119 · 119-122 °C (dec.)(lit.)
- Boiling point
- 235 °C/12mmHg · 235°C/12mmHg(lit.)
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Green to Brown
- InChI
- 1S/C16H12O2/c1-11-7-8-15-13(9-11)14(17)10-16(18-15)12-5-3-2-4-6-12/h2-10H,1H3
- InChIKey
- NOQJBXPAMJLUSS-UHFFFAOYSA-N
- SMILES
- Cc1ccc2OC(=CC(=O)c2c1)c3ccccc3
- CAS DataBase Reference
- 29976 · 29976-75-8(CAS DataBase Reference)
- FDA UNII
- 3 JCS9D3KJ · K3JCS9D3KJ
- UNSPSC Code
- 51111800 · 51111800
- NACRES
- 77 · NA.77
- Hazard Codes
- Xi
- Risk Statements
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
- wgk
- 3
- hs_code
- 2933.39.9200
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses6-Methylflavone, an activator of α1β2γ2L and α1β2 GABAA receptors.
Suppliers39 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海达立康医药科技有限公司18658316824 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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