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2,7-Diacetoxynaphthalene

HCID 790833
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
22472-26-0
Standard SMILES
CC(=O)Oc1ccc2ccc(OC(C)=O)cc2c1
InChIKey
VRMXWHJBWOVBEJ-UHFFFAOYSA-N
Molecular formula
C14H12O4
Average molar mass
244.24 g/mol
Monoisotopic mass
244.07355886

Names & identifiers

Preferred name
2,7-Diacetoxynaphthalene
IUPAC
(7-acetyloxynaphthalen-2-yl) acetate
English name
2,7-Diacetoxynaphthalene
Molecular formula
C14H12O4
Molecular weight
244.24

Names & synonyms

2,7-DIACETOXYNAPHTHALENE22472-26-0DTXSID80355080RefChem:248718DTXCID50306140naphthalene-2,7-diyl diacetate7-(acetyloxy)naphthalen-2-yl acetate(7-acetyloxynaphthalen-2-yl) acetateMFCD00036008Oprea1_697901naphthalene-2,7-diyldiacetate7-acetyloxy-2-naphthyl acetate
Show more names
2,7-Naphthylene=diacetateAVO 2,7-Diacetoxynaphalene2,7-Naphthalenediol diacetate2,7-Naphthalenediol, 2,7-diacetateDiacetic acid 2,7-naphthylene esterDiacetic acid 2,7-naphthalenediyl esteracetic acid (7-acetyloxy-2-naphthalenyl) ester
SCHEMBL5352558SCHEMBL29705954(7-acetoxy-2-naphthyl) acetateAKOS024348872AS-60363DB-045930ST50825908E79191

Database identifiers

CAS
22472-26-0
PubChem CID
790833
DTXSID
DTXSID80355080
Nikkaji
J151.331A

Properties

Computed structural properties

XLogP
2.7
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
296

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point
135 · 135-137°C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P301+P312-P302+P352-P304+P340-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
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Related reactions

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Compound notes

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