Benzanthrone

Description

Benzanthrone · CAS 82-05-3 · C17H10O. UNII LP5P3RR8QN. Melting Point: 338 °F (NTP, 1992); Melting Point: 170 °C; Solubility: @ 20 °C: 1.61 G IN 100 G BENZENE.

Identification

CAS Registry Number	82-05-3
PubChem CID	6697
Molecular formula	C17H10O
IUPAC name	benzo[a]phenalen-7-one
UNII (FDA)	LP5P3RR8QN

Computed Descriptors

Molecular Weight	230.26
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	230.073164938
Monoisotopic Mass	230.073164938
Topological Polar Surface Area	17.1
Heavy Atom Count	18
Formal Charge	0

Physical & Chemical Properties

Melting Point	338 °F (NTP, 1992)
Melting Point	170 °C
Solubility	@ 20 °C: 1.61 G IN 100 G BENZENE
Vapor Pressure	0.00000022 [mmHg]
Collision Cross Section	142.9 Ų [M*]+
Collision Cross Section	144 Ų [M+H]+

Physical description & handling notes

• Benzanthrone appears as yellow needles. (NTP, 1992)
• Pale yellow solid; [Merck Index] Light yellow powder; [Alfa Aesar MSDS]
• PALE YELLOW NEEDLES FROM XYLENE OR ALCOHOL
• @ 20 °C: 0.52 G IN 100 G GLACIAL ACETIC ACID
• @ 20 °C: 2.05 G IN 100 G CHLOROBENZENE
• SOL IN ALCOHOL & OTHER ORG SOLVENTS

GHS Hazard Classification

Reported hazard statements	H315 (97.7%), H319 (100%), H335 (97.7%)

Documented Uses

• Used in the manufacture of dyes; [Merck Index] Has been found in the atmosphere in an aluminum plant and is one of the most common chemicals detected at superfund sites; [HSDB]
• ...BY HEATING REDUCTION PRODUCT OF ANTHRAQUINONE WITH SULFURIC ACID & GLYCEROL.
• (A) FROM ANTHRANOL & GLYCEROL BY CONDENSATION BY MEANS OF SULFURIC ACID (ANTHRANOL IS MADE FROM ANTHRAQUINONE); (B) FROM ANTHRACENE IN SULFURIC ACID SOLN BY ADDITION OF GLYCEROL & HEATING TO 100-110 °C UNTIL ANTHRACENE DISAPPEARS. REACTION MASS IS THEN DILUTED WITH WATER, SALTED OUT & PURIFIED.
• 7H-Benz[de]anthracen-7-one: ACTIVE
• METHOD OF PURIFICATION: CRYSTALLIZATION FROM TOLUENE.
• Benzanthrone is the starting product for an important group of vat dyes. Fusion of benzanthrone with potassium hydroxide produces dibenzanthrone (violanthrone). Dyes produced from violanthrone include Vat Green B (also known as Indanthrene Black BB), Vat Jade Green, Vat Olive Green B, Vat Olive T, and Indanthrene Brilliant Violet 2R. Benzanthrone and its derivatives are used as light sensitizers for degradation of plastics, daytime fluorescent pigments, and in colored chemical smokes, too.

Synonyms

BENZANTHRONE; 82-05-3; 7H-Benz[de]anthracen-7-one; 7H-benzo[de]anthracen-7-one; Benzanthrenone; MS-Benzanthrone; Mesobenzanthrone; 1,9-Benzanthrone; DYE, benzanthrone; Benzoanthrone; 7H-Benz(de)anthracen-7-one; 7-Oxobenz(de)anthracene; 7H-Benzo(de)anthracen-7-one; Benz(de)anthracen-7-one; 7H-Benz(de)anthracene-7-one; 7-Oxobenz[de]anthracene

Frequently Asked Questions

What are the CAS number and molecular formula of Benzanthrone?

CAS 82-05-3; molecular formula C17H10O; molecular weight — g/mol.

What other names is Benzanthrone known by?

BENZANTHRONE, 82-05-3, 7H-Benz[de]anthracen-7-one, 7H-benzo[de]anthracen-7-one, Benzanthrenone, MS-Benzanthrone.

Is Benzanthrone classified as hazardous?

Hazard statements reported: H315, H319, H335.

What are the key physical properties of Benzanthrone?

Melting Point: 338 °F (NTP, 1992); Melting Point: 170 °C; Solubility: @ 20 °C: 1.61 G IN 100 G BENZENE; Vapor Pressure: 0.00000022 [mmHg].

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.