Basic information
- CAS
2373-89-9- Standard SMILES
COc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1- InChIKey
HDXVSZWKIHQDES-LFYBBSHMSA-N- Molecular formula
- C17H16O3
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.10994437
Overview
4,4'-dimethoxychalcone is a flavonoid.
Names & identifiers
- Preferred name
- 4,4'-Dimethoxychalcone
- IUPAC
- (E)-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
- English name
- (E)-β-(4-Methoxyphenyl)-4'-methoxyacrylophenone
- Molecular formula
- C17H16O3
- Molecular weight
- 268.31
Names & synonyms
4,4'-Dimethoxychalcone2373-89-9trans-4,4'-Dimethoxychalcone8KJ379G3P21,3-Bis(4-methoxyphenyl)propenoneNSC-873392-Propen-1-one, 1,3-bis(4-methoxyphenyl)-, (2E)-UNII-8KJ379G3P2RefChem:25989(E)-1,3-bis(4-methoxyphenyl)prop-2-en-1-one41564-67-41,3-bis(4-methoxyphenyl)prop-2-en-1-one
Show more names
4,4'-Dimethoxy-trans-chalcone(E)-1,3-Bis(4-methoxyphenyl)-2-propene-1-one(E)-β-(4-Methoxyphenyl)-4'-methoxyacrylophenone
(E)-4,4'-Dimethoxychalcone(2E)-1,3-bis(4-methoxyphenyl)prop-2-en-1-oneMFCD000258152-Propen-1-one, 1,3-bis(4-methoxyphenyl)-(E)-1,3-bis(4-methoxyphenyl)-2-propen-1-oneSCHEMBL9782421,3-bis(4-methoxyphenyl)-2-propen-1-oneNSC 87339
Database identifiers
- CAS
2373-89-9、41564-67-4- PubChem CID
- 5377817
- DTXSID
DTXSID001311791- ChEMBL
CHEMBL138314- ChEBI
CHEBI:232318- UNII
- 8KJ379G3P2
- EC Number
- 666-868-3
- Nikkaji
- J150.792C、J648.374G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 100 °C · 100°C - 102·C
- Boiling point
- 444.6 · 444.6±45.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Pale Yellow to Yellow
- CAS DataBase Reference
- 41564 · 41564-67-4
- FDA UNII
- 8 KJ379G3P2 · 8KJ379G3P2
Safety & regulation
GHS classification
GHS Classification
Warning
H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (97.5%)
Chemistry & industry
Suppliers9 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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