Cas no 78302-38-2 (Benz[a]anthracene,3-bromo-7,12-dimethyl-)
![Benz[a]anthracene,3-bromo-7,12-dimethyl- structure](https://ossimg.kuujia.com/scimg/78500/78302-38-2x500.png)
78302-38-2 structure
Product Name:Benz[a]anthracene,3-bromo-7,12-dimethyl-
CAS No:78302-38-2
MF:C20H15Br
MW:335.237104654312
CID:572752
PubChem ID:127586
Update Time:2025-04-19
Benz[a]anthracene,3-bromo-7,12-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benz[a]anthracene,3-bromo-7,12-dimethyl-
- 3-bromo-7,12-dimethylbenz(a)anthracene
- 3-bromo-7,12-dimethylbenzo[a]anthracene
- 3-bromo-7,12-dimethylbenz<a>anthracene
- 3-bromo-7,12-dimethyltetraphene
- 3-Bromo-dmba
- Benz(a)anthracene, 3-bromo-7,12-dimethyl-
- 78302-38-2
- DTXSID30999655
-
- Inchi： 1S/C20H15Br/c1-12-16-5-3-4-6-17(16)13(2)20-18(12)9-7-14-11-15(21)8-10-19(14)20/h3-11H,1-2H3
- InChI Key： GUWKPOQDILCRTR-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1)C=CC1=C(C)C3C=CC=CC=3C(C)=C12
Computed Properties
- Exact Mass: 334.03600
- Monoisotopic Mass: 334.036
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 378
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.5
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.3419 (rough estimate)
- Boiling Point: 391.41°C (rough estimate)
- Flash Point: 256.8°C
- Refractive Index: 1.6000 (estimate)
- PSA: 0.00000
- LogP: 6.52550
Benz[a]anthracene,3-bromo-7,12-dimethyl- Security Information
- Storage Condition：Warehouse ventilation and low temperature drying
Benz[a]anthracene,3-bromo-7,12-dimethyl- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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