7-METHYLBENZ(a)ANTHRACENE-8-CARBONITRILE

Modify Date: 2025-09-11 07:45:15

7-METHYLBENZ(a)ANTHRACENE-8-CARBONITRILE Structure
7-METHYLBENZ(a)ANTHRACENE-8-CARBONITRILE structure
Common Name 7-METHYLBENZ(a)ANTHRACENE-8-CARBONITRILE
CAS Number 63018-70-2 Molecular Weight 267.32400
Density 1.22g/cm3 Boiling Point 515.5ºC at 760 mmHg
Molecular Formula C20H13N Melting Point N/A
MSDS N/A Flash Point 267.7ºC

 Names

Name 7-methylbenzo[a]anthracene-8-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.22g/cm3
Boiling Point 515.5ºC at 760 mmHg
Molecular Formula C20H13N
Molecular Weight 267.32400
Flash Point 267.7ºC
Exact Mass 267.10500
PSA 23.79000
LogP 5.32628
Index of Refraction 1.75
InChIKey OABWNVLQUOKXFA-UHFFFAOYSA-N
SMILES Cc1c2ccc3ccccc3c2cc2cccc(C#N)c12

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CW0730000
CHEMICAL NAME :
Benz(a)anthracene-8-carbonitrile, 7-methyl-
CAS REGISTRY NUMBER :
63018-70-2
BEILSTEIN REFERENCE NO. :
3325728
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H13-N
MOLECULAR WEIGHT :
267.34
WISWESSER LINE NOTATION :
L D6 B666J HCN J

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
REFERENCE :
JNCIAM Journal of the National Cancer Institute. (Washington, DC) V.1-60, 1940-78. For publisher information, see JJIND8. Volume(issue)/page/year: 1,303,1940

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

5-Cyano-10-methyl-1,2-benzanthracene
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