213942

3-Methylcholanthrene

98%

• Synonym(s): 20-Methylcholanthrene, Methylcholanthrene
• Empirical Formula (Hill Notation): C₂₁H₁₆
• CAS Number: 56-49-5
• Molecular Weight: 268.35
• Beilstein: 1913890
• EC Number: 200-276-4
• MDL number: MFCD00003704
• UNSPSC Code: 12352005
• PubChem Substance ID: 57647926
• NACRES: NA.25

Properties

• 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

Description

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.

Safety Information

• Pictograms: GHS08
• Signal Word: Danger
• Hazard Statements: H350,H413
• Precautionary Statements: P201 - P273 - P308 + P313
• Hazard Classifications: Aquatic Chronic 4 - Carc. 1B
• Storage Class Code: 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
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves