Basic information
- CAS
909-84-2- Standard SMILES
O=c1ccc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2o1- InChIKey
GTUPSBQDBMSQTH-UHFFFAOYSA-N- Molecular formula
- C23H18O4
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.12050905
Names & identifiers
- Preferred name
- 6,7-Dibenzyloxycoumarin
- IUPAC
- 6,7-bis(phenylmethoxy)chromen-2-one
- English name
- ESCULETIN DIBENZYL ETHER
- Molecular formula
- C23H18O4
- Molecular weight
- 358.39
Names & synonyms
909-84-26,7-bis(benzyloxy)coumarin6,7-DibenzyloxycoumarinEsculetin dibenzyl etherEsculetin dibenzylether6,7-bis(benzyloxy)-2H-chromen-2-one6,7-bis(phenylmethoxy)chromen-2-one6,7-Bis(phenylmethoxy)-2H-1-benzopyran-2-oneMFCD000169756,7-Bis(phenylmethoxy)-2-benzopyrone2H-1-Benzopyran-2-one, 6,7-bis(phenylmethoxy)-AKOS027382591
Show more names
ESCULETIN DIBENZYLETHER(RG)6,7-BIS(BENZYLOXY)COUMARIN 97%Seven Leaf Pavilion Diphenyl Ether
AS-57976ESCULETINDIBENZYLETHEREINECS 213-003-9A6DJ7GXA5B6,7-di(benzyloxy)coumarin6,7-dibenzyloxychromen-2-oneorb1992612Coumarin, 6,7-bis(benzyloxy)-
Database identifiers
- CAS
909-84-2- PubChem CID
- 70184
- DTXSID
DTXSID70238313- UNII
- A6DJ7GXA5B
- EC Number
- 213-003-9
- Nikkaji
- J195.203J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- Melting point
- 164 · 164-166°C
- Boiling point
- 560.2 · 560.2±50.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- form
- powder to crystal
- color
- White to Orange to Green
- LogP
- 4.91 · 4.910 (est)
- CAS DataBase Reference
- 909 · 909-84-2
- FDA UNII
- 6 DJ7GXA5B · A6DJ7GXA5B
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
- HS Code
- 2932.2 · 2932.20.5050
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
- hs_code
- 2932.20.5050
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Chemistry & industry
Suppliers34 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [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]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…