Basic information
- CAS
720675-90-1- Standard SMILES
COc1ccc(-c2cc(=O)c3cc(OC)ccc3o2)c(OC)c1- InChIKey
WUWFDVDASNSUKP-UHFFFAOYSA-N- Molecular formula
- C18H16O5
- Average molar mass
- 312.3 g/mol
- Monoisotopic mass
- 312.09977361
Overview
structure in first source
Names & identifiers
- Preferred name
- 6,2',4'-Trimethoxyflavone
- IUPAC
- 2-(2,4-dimethoxyphenyl)-6-methoxychromen-4-one
- English name
- 6,2',4'-Trimethoxyflavone
- Molecular formula
- C18H18O5
- Molecular weight
- 314.33
Names & synonyms
6,2',4'-trimethoxyflavone720675-90-12-(2,4-dimethoxyphenyl)-6-methoxychromen-4-oneDTXSID80350974RefChem:913648DTXCID503020412-(2,4-dimethoxyphenyl)-6-methoxy-4H-chromen-4-oneFlavonid, 6[4,2]ST057638SCHEMBL4915794BDBM93448MFCD03412381
Show more names
Trimethoxyflavone6,2′,4′-Trimethoxyflavone, CAS 720675-90-14H-1-Benzopyran-4-one, 2-(2,4-dimethoxyphenyl)-2,3-dihydro-6-methoxy-
AKOS024282698MS-24550PD001171HY-103220CS-00253112-(2,4-Dimethoxyphenyl)-2,3-dihydro-6-methoxy-4H-1-benzopyran-4-one2-(2,4-dimethoxyphenyl)-6-methoxy-chromen-4-one2',4',6-trimethoxyflavone
Database identifiers
- CAS
720675-90-1- PubChem CID
- 688802
- DTXSID
DTXSID80350974- EC Number
- 687-414-0
- Nikkaji
- J3.634.361C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- Boiling point
- 482.8 · 482.8±45.0 °C(Predicted)
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- storage temp.
- room temp
- solubility
- 5 mg/mL · DMSO: >5mg/mL
- form
- powder
- color
- yellow
- InChI
- 1S/C18H16O5/c1-20-11-5-7-16-14(8-11)15(19)10-18(23-16)13-6-4-12(21-2)9-17(13)22-3/h4-10H,1-3H3
- InChIKey
- WUWFDVDASNSUKP-UHFFFAOYSA-N
- SMILES
- COc1ccc(c(OC)c1)C2=CC(=O)c3cc(OC)ccc3O2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P405-P501
- Hazard Codes
- T
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P264-P270-P301+P310-P405-P501
Chemistry & industry
Suppliers3 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…