Benz[a]anthracene-7-acetonitrile

Modify Date: 2025-09-18 11:44:41

Benz[a]anthracene-7-acetonitrile structure	Common Name	Benz[a]anthracene-7-acetonitrile
	CAS Number	63018-69-9	Molecular Weight	267.32400
	Density	1.226g/cm3	Boiling Point	525.7ºC at 760 mmHg
	Molecular Formula	C₂₀H₁₃N	Melting Point	N/A
	MSDS	N/A	Flash Point	309.4ºC

Name	Benz[a]anthracene-7-acetonitrile
Synonym	More Synonyms

Density	1.226g/cm3
Boiling Point	525.7ºC at 760 mmHg
Molecular Formula	C₂₀H₁₃N
Molecular Weight	267.32400
Flash Point	309.4ºC
Exact Mass	267.10500
PSA	23.79000
LogP	5.21228
Index of Refraction	1.754
InChIKey	GHUUNAACTDWPKC-UHFFFAOYSA-N
SMILES	N#CCc1c2ccccc2cc2c1ccc1ccccc12

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CV8975000

CHEMICAL NAME :: Benz(a)anthracen-7-acetonitrile

CAS REGISTRY NUMBER :: 63018-69-9

BEILSTEIN REFERENCE NO. :: 3335132

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C20-H13-N

MOLECULAR WEIGHT :: 267.34

WISWESSER LINE NOTATION :: L D6 B666J J1CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 600 mg/kg

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

MUTATION DATA

TYPE OF TEST :: Mutation test systems - not otherwise specified

TEST SYSTEM :: Bacteria - Escherichia coli

DOSE/DURATION :: 30 umol/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 203,81,1988

7-CHLOROMETHYL BENZ(a)ANTHRACENE structure

7-CHLOROMETHYL ...

CAS#:6325-54-8

~85%

Benz[a]anthracene-7-acetonitrile Structure

Benz[a]anthrace...

CAS#:63018-69-9

Literature: Sangaiah, R.; Gold, A.; Toney, G. E. Journal of Organic Chemistry, 1983 , vol. 48, # 10 p. 1632 - 1638

7-CHLOROMETHYL BENZ(a)ANTHRACENE structure

7-CHLOROMETHYL ...

CAS#:6325-54-8

POTASSIUM CYANIDE structure

POTASSIUM CYANIDE

CAS#:151-50-8

~%

Benz[a]anthracene-7-acetonitrile Structure

Benz[a]anthrace...

CAS#:63018-69-9

Literature: Badger; Cook Journal of the Chemical Society, 1940 , p. 409,411

Precursor 2
CAS#:6325-54-8 7-CHLOROMETHYL ... CAS#:151-50-8 POTASSIUM CYANIDE
DownStream 3
CAS#:20316-12-5 Benz[a]anthrace... CAS#:202-33-5 benzo[j]aceanth... CAS#:199-54-2 Benz(e)aceanthrylene

2-benzo[a]anthracen-7-ylacetonitrile

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