二苯并[a,j]吖啶

Description

dibenzo[a,j]acridine · CAS 224-42-0 · C21H13N. UNII 088X9K64S8. Melting Point: 216 °C; Solubility: In water, 0.159 mg/L at 25 °C; LogP: log Kow = 5.63.

Identification

CAS Registry Number	224-42-0
PubChem CID	9177
Molecular formula	C21H13N
IUPAC name	13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
UNII (FDA)	088X9K64S8

Computed Descriptors

Molecular Weight	279.3
XLogP3	6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	279.104799419
Monoisotopic Mass	279.104799419
Topological Polar Surface Area	12.9
Heavy Atom Count	22
Formal Charge	0

Physical & Chemical Properties

Melting Point	216 °C
Solubility	In water, 0.159 mg/L at 25 °C
LogP	log Kow = 5.63
LogP	5.31

Physical description & handling notes

• Dibenz[a,j]acridine appears as yellow crystals.
• Yellow solid; [HSDB] Yellow crystals; [Cerilliant MSDS]
• YELLOW NEEDLES OR PRISMS
• Soluble in ethanol, acetone; sparingly soluble in benzene
• When heated to decomposition it emits toxic fumes of /nitrogen oxides/.

Regulatory Status

GHS notification summary	5.6% (3 / 54)

GHS Hazard Classification

GHS notification summary	5.6% (3 / 54)
Reported hazard statements	H341 (22.2%), H351 (94.4%), H350

Documented Uses

• Used as research chemical; Not commercially produced or used in the US; [HSDB]
• (1975) NOT PRODUCED COMMERCIALLY IN US
• (1977) NOT PRODUCED COMMERCIALLY IN US
• Dibenz(a,j)acridine is found as a combustion product from automobile exhaust, coal-burning effluent, and incinerator effluent. It is also found in cigarette smoke condensate.
• The metabolism of the carcinogenic N-heterocyclic aromatic, dibenz[a,j]-acridine (DB(a,j)A), was investigated in an isolated perfused rabbit lung preparation. The rate of metabolism of DB(a,j)A was less than the rate of metabolism of 7H-dibenzo(c,g)carbazole (DB(c,g)C) in the untreated and corn oil-pretreated animals. A significantly increased rate of metabolism was observed for DB(a,j)A in benzo(a)pyrene(B(a)P)-pretreated animals. This resulted in marked increases in conjugation and distribution of conjugates and
• The major metabolites of the carcinogen dibenz[a,j]acridine formed in rodent liver microsomal preparations were trans-3,4-dihydroxy-3,4-dihydrodibenz[a,j]acridine (DBAJAC-3,4-DHD) and dibenz[a,j]acridine 5,6-oxide (DBAJAC 5,6-oxide). The enantiomers of DBAJAC-3,4-DHD were prepared from the separable diastereoisomeric esters with (+)-endo-1,4,5,6,7,7-hexachlorobicyclo(2.2.1)hept-5-ene-2-carboxyl ic acid (HCA). The absolute configuration of trans-3(R),4(R)-dihydroxy-1,2,3,4-tetrahydrodibenz[a,j]acridine was assigned

Synonyms

Dibenz[a,j]acridine; 224-42-0; Dibenzo[a,j]acridine; DIBENZ(A,J)ACRIDINE; 1,2:7,8-Dibenzacridine; DB(a,j)AC; Dibenz(a,f)acridine; 1,2,7,8-Dibenzacridine; 3,4,5,6-Dibenzacridine; 7-Azadibenz(a,j)anthracene; 7-Azadibenz[a,j]anthracene; 3,4,6,7-Dinaphthacridine; CCRIS 207; NSC 114903; HSDB 4036; Dibenz[a,f]acridine

Frequently Asked Questions

What are the CAS number and molecular formula of dibenzo[a,j]acridine?

CAS 224-42-0; molecular formula C21H13N; molecular weight — g/mol.

What other names is dibenzo[a,j]acridine known by?

Dibenz[a,j]acridine, 224-42-0, Dibenzo[a,j]acridine, DIBENZ(A,J)ACRIDINE, 1,2:7,8-Dibenzacridine, DB(a,j)AC.

Is dibenzo[a,j]acridine classified as hazardous?

5.6% of GHS notifications report no hazard classification (3 of 54).

What are the key physical properties of dibenzo[a,j]acridine?

Melting Point: 216 °C; Solubility: In water, 0.159 mg/L at 25 °C; LogP: log Kow = 5.63; LogP: 5.31.

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.