Basic information
- CAS
3569-82-2- Standard SMILES
O=c1cc2oc3cc(O)c(O)cc3c(-c3ccccc3O)c-2cc1O- InChIKey
GRWQEXZZWRVXDZ-UHFFFAOYSA-N- Molecular formula
- C19H12O6
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 336.0633881
Names & identifiers
- Preferred name
- 9-Hydroxyphenylfluoron
- IUPAC
- 2,6,7-trihydroxy-9-(2-hydroxyphenyl)xanthen-3-one
- English name
- Salicyl fluorone
- Molecular formula
- C19H12O6
- Molecular weight
- 336.3
Names & synonyms
3569-82-29-Hydroxyphenylfluoron9-HPFDTXSID001892033H-Xanthen-3-one, 2,6,7-trihydroxy-9-(2-hydroxyphenyl)-, (15alpha)-RefChem:107971DTXCID90111694salicyl fluorone2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3h-xanthen-3-one2,6,7-trihydroxy-9-(2-hydroxyphenyl)xanthen-3-oneNSC-9037NSC9037
Show more names
SKL1732-Hydroxyphenylfluoroneo-Hydroxyphenylfluorone9-(2-Hydroxyphenyl)-2,3,7-trihydroxyfluorone2,6,7-Trihydroxy-9-(2'-hydroxyphenyl)-3-fluorone
MLS0007379033H-Xanthen-3-one,2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3H-Xanthen-3-one, 2,6,7-trihydroxy-9-(2-hydroxyphenyl)-SMR000528081F0777-0978SalicylfluoroneSalicylfluoronNSC 9037
Database identifiers
- CAS
3569-82-2- PubChem CID
- 72722
- DTXSID
DTXSID00189203- ChEMBL
CHEMBL1451216、CHEMBL1939685- Nikkaji
- J227.795F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 675
Physicochemical properties
- Boiling point
- 689.5 · 689.5±55.0 °C(Predicted)
- Density
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 7.47 · 7.47±0.20(Predicted)
- Appearance
- Brown to red Solid
- InChI
- InChI=1S/C19H12O6/c20-12-4-2-1-3-9(12)19-10-5-13(21)15(23)7-17(10)25-18-8-16(24)14(22)6-11(18)19/h1-8,20-23H
- InChIKey
- GRWQEXZZWRVXDZ-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=CC=C2O)C2=C(C=C(O)C(O)=C2)OC2C=1C=C(O)C(=O)C=2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers62 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
韶关高科祥高新材料有限公司15089879907 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
上海道鞅科技有限公司QQ:3150471267 13381681725 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
广东大小化工有限公司171603 18666171603 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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