Basic information
- CAS
605-89-0- Standard SMILES
CC(=O)Oc1cccc2c(OC(C)=O)cccc12- InChIKey
OZXMAFKBBGXKSP-UHFFFAOYSA-N- Molecular formula
- C14H12O4
- Average molar mass
- 244.24 g/mol
- Monoisotopic mass
- 244.07355886
Names & identifiers
- Preferred name
- 1,5-Diacetoxynaphthalene
- IUPAC
- (5-acetyloxynaphthalen-1-yl) acetate
- English name
- 1,5-naphthylene di(acetate)
- Molecular formula
- C14H12O4
- Molecular weight
- 244.24
Names & synonyms
1,5-Diacetoxynaphthalene605-89-0naphthalene-1,5-diyl diacetate1,5-Naphthylene di(acetate)(5-acetyloxynaphthalen-1-yl) acetate1,5-Naphthalenediol, diacetate5-(ACETYLOXY)NAPHTHALEN-1-YL ACETATEAI3-17537NSC-4186NSC41861,5-Naphthalenediol,1,5-diacetateEINECS 210-098-9
Show more names
1,5-Naphthalenediol diacetateNaphthalene-1,5-diol diacetateDiacetic acid=1,5-naphthylene ester(5-acetyloxynaphthalen-1-yl) ethanoateacetic acid (5-acetoxy-1-naphthyl) ester
QH3SQR23NBSCHEMBL6688920(5-acetoxy-1-naphthyl) acetateDTXSID30209241NSC 4186MFCD002665211,5-Naphthalenediol, 1,5-diacetate5-(Acetyloxy)-1-naphthyl acetate #
Database identifiers
- CAS
605-89-0- PubChem CID
- 69067
- DTXSID
DTXSID30209241- UNII
- QH3SQR23NB
- EC Number
- 210-098-9
- Nikkaji
- J125.823K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 158 °C · 158 °C
- Boiling point
- 240 · 240-250 °C(Press: 12 Torr)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate, Methanol
- form
- Solid
- color
- Yellow
- FDA UNII
- 3 SQR23NB · QH3SQR23NB
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1,5-Diacetoxynaphthalene is an intermediate in the synthesis of Plumbagin-d3 (P627002). Plumbagin-d3 is labelled Plumbagin (P627000) which induces apoptosis in cancer cells. It also inhibits NADPH oxidase 4 in a time- and dose-dependent manner.
Suppliers7 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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