1,2-Naphthalenedicarboxylic anhydride

HCID 21437CAS 5343-99-7

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1OC(=O)c2c1ccc1ccccc21
InChIKey: IDVDAZFXGGNIDQ-UHFFFAOYSA-N
Molecular formula: C12H6O3
Average molar mass: 198.17 g/mol
Monoisotopic mass: 198.03169405

Overview

structure in first source

Names & identifiers

Preferred name: 1,2-Naphthalenedicarboxylic anhydride
IUPAC: benzo[e][2]benzofuran-1,3-dione
English name: 1,2-Naphthalic anhydride
Molecular formula: C12H6O3
Molecular weight: 198.17

Names & synonyms

5343-99-71,2-NAPHTHALIC ANHYDRIDENaphtho[1,2-c]furan-1,3-dione1,2-NAPHTHALENEDICARBOXYLIC ANHYDRIDENaphtho(1,2-c)furan-1,3-dione0N189MC6JSNSC-521DTXSID40201599RefChem:72106DTXCID20124090678-294-0benzo[e][2]benzofuran-1,3-dione

Show more names

1,2-NAPHTHALIC ANHYDRIDE 98+%benzo[e]isobenzofuran-1,3-quinone

MFCD00191561naphthalene-1,2-dicarboxylic anhydrideNSC521benzo[e]isobenzofuran-1,3-dione1H,3H-naphtho[1,2-c]furan-1,3-dioneNSC 521UNII-0N189MC6JSSCHEMBL137604

Database identifiers

CAS: 5343-99-7
PubChem CID: 21437
DTXSID: DTXSID40201599
UNII: 0N189MC6JS
EC Number: 678-294-0
Nikkaji: J451.239A

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 310

Physicochemical properties

Melting point: 170 °C · 170°C
Boiling point: 180 · 180-195 °C(Press: 12 Torr)
Density: 1.449 · 1.449±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Solid
color: Yellow
Stability: Moisture Sensitive
FDA UNII: 0 N189MC6JS · 0N189MC6JS
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
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2917.39 · 2917.39.0800

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2917.39.0800
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313