213942
3-Methylcholanthrene
98%
Synonym(s):
20-Methylcholanthrene, Methylcholanthrene
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About This Item
Empirical Formula (Hill Notation):
C21H16
CAS Number:
Molecular Weight:
268.35
UNSPSC Code:
12352005
NACRES:
NA.25
PubChem Substance ID:
EC Number:
200-276-4
Beilstein/REAXYS Number:
1913890
MDL number:
Assay:
98%
Form:
solid
Quality Segment
assay
98%
form
solid
bp
280 °C/80 mmHg (lit.)
mp
178-180 °C (lit.)
SMILES string
Cc1ccc2cc3c(ccc4ccccc34)c5CCc1c25
InChI
1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3
InChI key
PPQNQXQZIWHJRB-UHFFFAOYSA-N
Application
3-Methylcholanthrene has been used to assess its tumor initiation activity by Bhas 42 cell transformation assay. It has also been used to induce the activity of cytochrome P450.
Biochem/physiol Actions
3-Methylcholanthrene is a carcinogen used to induce transformation of cultured cells. It is also used to induce fibrosarcomas and skin carcinomas in laboratory animals. 3-methylcholanthrene is a potent aryl hydrocarbon receptor agonist.
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signalword
Danger
hcodes
Hazard Classifications
Aquatic Chronic 4 - Carc. 1B
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
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