Cholanthrene, 6,7,8,9,10,12b-hexahydro-3-methyl- supplier

Name
1,2,6,7,8,9,10,12b-Octahydro-3-methylbenz[j]aceanthrylene
EINECS
CAS No. 35281-27-7
Density 1.128g/cm³
Solubility
Melting Point
Formula C₂₁H₂₂
Boiling Point 417.4°C at 760 mmHg
Molecular Weight 274.43
Flash Point 228.9°C
Transport Information
Appearance
Safety Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and fumes.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
PSA 0.00000
LogP 4.85610

Cholanthrene, 6,7,8,9,10,12b-hexahydro-3-methyl- Chemical Properties

IUPAC: 3-methyl-1,2,6,7,8,9,10,12b-octahydrobenzo[j]aceanthrylene
Molecular Formula: C₂₁H₂₂
Molecular Weight: 274.399380 g/mol
Canonical SMILES: c1c(c2CC[C@@H]3c2c(Cc2c4c(ccc32)CCCC4)c1)C
InChI: InChI=1/C21H22/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/h6-9,19H,2-5,10-12H2,1H3
Mol File: 35281-27-7.mol
XLogP3-AA: 6
H-Bond Donor: 0
H-Bond Acceptor: 0
Rotatable Bond Count: 0
Exact Mass: 274.172151
MonoIsotopic Mass: 274.172151
Topological Polar Surface Area: 0
Heavy Atom Count: 21
Complexity: 399
Classification Code: Mutation data,Tumor data
Index of Refraction: 1.638
Molar Refractivity: 87.43 cm³
Molar Volume: 243.1 cm³
Polarizability: 34.66×10^-24cm³
Surface Tension: 47.4 dyne/cm
Density: 1.128 g/cm³
Flash Point: 228.9 °C
Enthalpy of Vaporization: 64.47 kJ/mol
Boiling Point: 417.4 °C at 760 mmHg
Vapour Pressure of Cholanthrene, 6,7,8,9,10,12b-hexahydro-3-methyl- (CAS NO.35281-27-7): 8.62E-07 mmHg at 25 °C

Cholanthrene, 6,7,8,9,10,12b-hexahydro-3-methyl- Toxicity Data With Reference

1.		mma-sat 1 µg/plate		MUREAV Mutation Research. 51 (1978),311.
2.		skn-mus TDLo:140 mg/kg/50W-I:CAR		ZKKOBW Zeitschrift fuer Krebsforschung und Klinische Onkologie. 77 (1972),226.

Cholanthrene, 6,7,8,9,10,12b-hexahydro-3-methyl- Safety Profile

Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition Cholanthrene, 6,7,8,9,10,12b-hexahydro-3-methyl- (CAS NO.35281-27-7) emits acrid smoke and fumes.

Cholanthrene, 6,7,8,9,10,12b-hexahydro-3-methyl- Specification

Cholanthrene, 6,7,8,9,10,12b-hexahydro-3-methyl- (CAS NO.35281-27-7),its Synonyms are 1,2,6,7,8,9,10,12b-Octahydro-3-methylbenz(j)aceanthrylene ; 3-10-00-01641 (Beilstein Handbook Reference) ; 6,7,8,9,10,12b-Hexahydro-3-methyl-cholanthrene ; BRN 2465473 ; Benz(j)aceanthrylene, 1,2,6,7,8,9,10,12b-octahydro-3-methyl- ;CID118227 .

Product Name

1,2,6,7,8,9,10,12b-Octahydro-3-methylbenz[j]aceanthrylene

Cholanthrene, 6,7,8,9,10,12b-hexahydro-3-methyl- Chemical Properties

Cholanthrene, 6,7,8,9,10,12b-hexahydro-3-methyl- Toxicity Data With Reference

Cholanthrene, 6,7,8,9,10,12b-hexahydro-3-methyl- Safety Profile

Cholanthrene, 6,7,8,9,10,12b-hexahydro-3-methyl- Specification

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