Basic information
- CAS
5697-00-7- Standard SMILES
CC(=O)Oc1ccc(OC(C)=O)c2ccccc12- InChIKey
SFAVMNCWIUOBCX-UHFFFAOYSA-N- Molecular formula
- C14H12O4
- Average molar mass
- 244.24 g/mol
- Monoisotopic mass
- 244.07355886
Names & identifiers
- Preferred name
- 1,4-Diacetoxynaphthalene
- IUPAC
- (4-acetyloxynaphthalen-1-yl) acetate
- English name
- 1,4-Diacetoxynaphthalene
- Molecular formula
- C14H12O4
- Molecular weight
- 244.24
Names & synonyms
1,4-Diacetoxynaphthalene5697-00-71,4-Naphthalenediol, diacetate1,4-Naphthalenediol, 1,4-diacetate5ABG24JW5WEINECS 227-172-1NSC 30652NSC-30652UNII-5ABG24JW5WDTXSID408841841,4-NAPHTHLAENEDIOL, 1,4-DIACETATERefChem:73186
Show more names
Vitamin K2 Impurity 19Vitamin K2 Impurity 171,4-Naphthylene=diacetate1,4-Naphthalenediol diacetateNaphthalene-1,4-diol diacetate
DTXCID401023643227-172-1SFAVMNCWIUOBCX-UHFFFAOYSA-NNaphthalene-1,4-diyl diacetate(4-acetyloxynaphthalen-1-yl) acetateNSC30652Vitamin K2 Impurity 18SCHEMBL4444465
Database identifiers
- CAS
5697-00-7- PubChem CID
- 79775
- DTXSID
DTXSID40884184- UNII
- 5ABG24JW5W
- EC Number
- 227-172-1
- Nikkaji
- J125.824I
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
- FDA UNII
- 5 ABG24JW5W · 5ABG24JW5W
- EPA Substance Registry System
- 1 · 1,4-Naphthalenediol, diacetate (5697-00-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Naphthalenediol, 1,4-diacetate: INACTIVE
Upstream & downstream products
Downstream products
Suppliers8 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳晴天生物技术有限公司18823167005 18162969855 · [email protected]
雷丁科技0510-85629785 18013409632 · [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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