Dibenzo[b,def]chrysen-7,14-dion

NSC30987 · C.I.59100 · NSC 30987 · NSC-30987 · C.I.VATYELLOW4 · Tinon Golden Yellow GK · Anthravat golden yellow · Amanthrene golden yellow

https://huagongshe.com/de/chemical/31412

Molekülstruktur von Dibenzo[b,def]chrysen-7,14-dion

Identifikatoren & physikalische Daten

CAS No.	128-66-5
Summenformel	C24H12O2
Durchschnittliche Molmasse	332,3 g/mol
Monoisotopische Masse	332,08372962 g/mol
SMILES	O=C1c2ccccc2-c2ccc3c4c(ccc1c24)-c1ccccc1C3=O
InChIKey	ZTWQZJLUUZHJGS-UHFFFAOYSA-N
PubChem CID	31412
ChEBI	CHEBI:82548
EC No.	204-903-2
DTXSID	DTXSID6021454
Lokaler Name	Dibenzo[b,def]chrysen-7,14-dion

Chemische & physikalische Eigenschaften

XLogP	5,4
Polarare Oberfläche (TPSA)	34,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	26
Formalladung	0
Komplexität	570
Stoffklassen	Dyes -> Anthraquinone Dyes
SpringerMaterials Properties	Diamagnetic susceptibility
Löslichkeit	greater than or equal to 100 mg/mL at 75 °F (NTP, 1992)
Flammpunkt	greater than 200 °F (NTP, 1992)Flash Point > 93 °C
Physical Description	C.i. vat yellow 4 is a viscous orange liquid. Used for coloring of cotton, wool and cellulose acetate.[CAMEO]
Schmelzpunkt	385 °C
Siedepunkt	429.48°C (rough estimate)
Dichte	1.1459 (rough estimate)
Brechungsindex	1.4891 (estimate)
Stabilität	Stable. Combustible. Incompatible with strong oxidizing agents.
CAS Datenbank	128-66-5
EPA chemische Informationen	C.I. Vat Yellow 4 (128-66-5)

Sicherheit & Vorschriften

GHS-Einstufung	Not Classified
Regulatorische Informationen	Chemical: Dibenzo[b,def]chrysene-7,14-dione
Brandgefahren	This chemical is probably combustible. (NTP, 1992)
Gesundheitsgefahren	ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits acrid smoke and irritating fumes. (NTP, 1992)
Gefahrenübersicht	Anthraquinones are toxic by ingestion: vomiting, diarrhea, kidney and liver damage, and comaDeaths have been reported after children ingested Rhamnus berries[HSDB]
Reaktive Gruppe	Hydrocarbons, Aromatic
Special Reports	REVIEW OF INHALATION (TOTAL-BODY-EXPOSURE) STUDIES OF COLORED CHEM SMOKES. ACUTE TOXICITIES, TIME TO DEATHS, & GROSS SIGNS COMPARED. TOXICOLOGICAL EVALUATION OF DYES IN SMOKE MIXT INCL. ONE OF THE DYES USED IN CHEM SMOKES IS DIBENZO(B,DEF)CHRYSENE-7,14-DIONE.[OWENS EJ, WARD DMUSNTIS AD/A REP ISS NO 003827/3GA 72 PP (1974)]DHEW/NCIBioassay of C.I. Vat Yellow 4 for Possible Carcinogenicity (1979) Technical Rpt Series No. 134 DHEW Pub No. (NIH) 79-1389
Reactivity Profile	C.I. VAT YELLOW 4 reacts very readily with reducing agents to give a colorless or nearly colorless product. Subsequent oxidation then restores the color.
Air and Water Reactions	Water soluble.
Hazard Classes and Categories	Not Classified
Brandbekämpfung	Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Erste Hilfe	EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Anwendungen & Verwendung

Verwenden

Vat Yellow 4 is a commercial dye used in textiles. Polyaromatic hydrocarbon with potential carcinogenic activity.Environmental toxin on US EPA Toxic Release Inventory list (TRI) list.

Herstellung & Synthese

synthetische

(a) 3-Benzoylbenzanthroneand Aluminium chloride and antioxidant for the closed-loop response; (b) 1,5-Dibenzoyl-2-naphthaenein Aluminium chloride and sodium chloride were under existing closed-loop response.