7,12-dihydroxymethylbenz(a)anthracene

Modify Date: 2025-08-25 23:27:56

7,12-dihydroxymethylbenz(a)anthracene structure	Common Name	7,12-dihydroxymethylbenz(a)anthracene
	CAS Number	2564-65-0	Molecular Weight	288.34000
	Density	1.314g/cm3	Boiling Point	587.8ºC at 760mmHg
	Molecular Formula	C₂₀H₁₆O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	283.5ºC

Name	[12-(hydroxymethyl)benzo[a]anthracen-7-yl]methanol
Synonym	More Synonyms

Density	1.314g/cm3
Boiling Point	587.8ºC at 760mmHg
Molecular Formula	C₂₀H₁₆O₂
Molecular Weight	288.34000
Flash Point	283.5ºC
Exact Mass	288.11500
PSA	40.46000
LogP	4.13080
Vapour Pressure	1.17E-14mmHg at 25°C
Index of Refraction	1.787
InChIKey	QFWRHTYGECMMSX-UHFFFAOYSA-N
SMILES	OCc1c2ccccc2c(CO)c2c1ccc1ccccc12

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CW1925000

CHEMICAL NAME :: Benz(a)anthracene-7,12-dimethanol

CAS REGISTRY NUMBER :: 2564-65-0

BEILSTEIN REFERENCE NO. :: 1997775

LAST UPDATED :: 199612

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C20-H16-O2

MOLECULAR WEIGHT :: 288.36

WISWESSER LINE NOTATION :: L D6 B666J C1Q J1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2600 mg/kg/40W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Escherichia coli

DOSE/DURATION :: 1 gm/L/2H

REFERENCE :: GENTAE Genetics. (Genetics Business Office, POB 64025, Baltimore, MD 21264) V.1- 1916- Volume(issue)/page/year: 39,141,1954

7,12-Dihydroxymethylbenz<a>anthracen

9:10-Bishydroxymethyl-1:2-benzanthracene

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Product Name: 7,12-dihydroxymethylbenz(a)anthracene
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Purity: 98.0%
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