6-Brom-1H,3H-naphtho[1,8-cd]pyran-1,3-dion

1H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 6-bromo-

HCID 66493CAS 81-86-7

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Grundinformationen

Standard-SMILES: O=C1OC(=O)c2ccc(Br)c3cccc1c23
InChIKey: DTUOTSLAFJCQHN-UHFFFAOYSA-N
Summenformel: C12H5BrO3
Durchschnittliche Molmasse: 277,07 g/mol
Monoisotopische Masse: 275,94220612

Namen und Bezeichner

Bevorzugter Name: 1H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 6-bromo-
IUPAC: 8-bromo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
Lokaler Name: 6-Brom-1H,3H-naphtho[1,8-cd]pyran-1,3-dion
Englischer Name: 4-Bromo-1,8-naphthalic anhydride
Summenformel: C12H5BrO3
Molmasse: 277.07

Namen und Synonyme

81-86-74-Bromo-1,8-naphthalic anhydride1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-bromo-6-bromo-1h,3h-naphtho[1,8-cd]pyran-1,3-dioneEINECS 201-382-3DTXSID00588571H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 6-bromo-6-Bromo-1H,3H-naphtho(1,8-cd)pyran-1,3-dioneRefChem:437750DTXCID6048204201-382-36-Bromobenzo[de]isochromene-1,3-dione

Weitere Namen anzeigen

4-BROMONAPHTHALIC ANHYDRIDE4-Bromo-1,8-phthalic anhydride4-Bromo-1,8-Napthalic Anhydride4-BroMo-1,8-naphthalic anhydride 95%4-Bromo-1,8-naphthalic Anhydride >4-Bromo-1,8-Naphthalic Anhydride,>98%6-BROMO-BENZO[DE]ISOCHROMENE-1,3-DIONE7-Bromo-1H,3H-naphtho[1,8-cd]pyran-1,3-dione

4-Bromo-1,8-naphthalenedicarboxylic AnhydrideMFCD000069276-Bromo-1H,3H-benzo[de]isochromene-1,3-dione8-bromo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dioneSCHEMBL3209544-bromonaphthalene-1,8-dicarboxylic anhydride4-Bromo-1,8-Naphthaltc anhydride6-bromo-1H,3H-naphtho[l,8-cd]pyran-1,3-dione

Datenbank-Bezeichner

CAS: 81-86-7
PubChem CID: 66493
DTXSID: DTXSID0058857
ChEMBL: CHEMBL2234776
UNII: L39RF44M2Z
EC Number: 201-382-3
Nikkaji: J25.130E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 16
Formalladung: 0
Komplexität: 341

Physikochemische Eigenschaften

Schmelzpunkt: 217 · 217-219 °C (lit.)
Siedepunkt: 467.2 · 467.2±28.0 °C(Predicted)
Dichte: 1.812 · 1.812±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: Off-White to Pale Yellow
InChI: InChI=1S/C12H5BrO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H
InChIKey: DTUOTSLAFJCQHN-UHFFFAOYSA-N
SMILES: C1(=O)OC(=O)C2=CC=C(Br)C3=C2C1=CC=C3
CAS Datenbank: 81 · 81-86-7(CAS DataBase Reference)
EPA chemische Informationen: 1 H,3H-Naphtho[1,8-cd]pyran-1,3-dione, · 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-bromo- (81-86-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 5.7% (9 of 157) of reports.

Warning

H315 (94.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 157 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.