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CAS No.: | 34346-98-0 |
---|---|
Name: | 4-Bromo-7-bromomethylbenz[a]anthracene |
Molecular Structure: | |
Formula: | C19H12Br2 |
Molecular Weight: | 400.13 |
Density: | 1.684g/cm3 |
Boiling Point: | 544.3°Cat760mmHg |
Flash Point: | 326.7°C |
Safety: | Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of Br−. See also BROMIDES. |
PSA: | 0.00000 |
LogP: | 6.80360 |
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Product Name: 4-Bromo-7-bromomethylbenz(a)anthracene (CAS NO.34346-98-0)
Molecular Formula: C19H12Br2
Molecular Weight: 400.13g/mol
Mol File: 34346-98-0.mol
Boiling point: 544.3 °C at 760 mmHg
Flash Point: 326.7 °C
Density: 1.684 g/cm3
Surface Tension: 59 dyne/cm
Enthalpy of Vaporization: 79.2 kJ/mol
Vapour Pressure: 2.37E-11 mmHg at 25°C
XLogP3-AA: 6.9
H-Bond Donor: 0
H-Bond Acceptor: 0
Structure Descriptors of 4-Bromo-7-bromomethylbenz(a)anthracene (CAS NO.34346-98-0):
IUPAC Name: 4-Bromo-7-(bromomethyl)benzo[a]anthracene
Canonical SMILES: C1=CC=C2C(=C1)C=C3C4=C(C=CC3=C2CBr)C(=CC=C4)Br
InChI: InChI=1S/C19H12Br2/c20-11-18-13-5-2-1-4-12(13)10-17-14-6-3-7-19(21)16(14)9-8-15(17)18/h1-10H,11H2
InChIKey: BSRBKTMCNZVRFV-UHFFFAOYSA-N
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of Br−. See also BROMIDES.
4-Bromo-7-bromomethylbenz(a)anthracene , its CAS NO. is 34346-98-0, the synonym is Benz(a)anthracene, 4-bromo-7-bromomethyl- .