7-(Bromomethyl)-12-methylbenz(a)anthracene
Basic information
- CAS
16238-56-5- Standard SMILES
Cc1c2ccccc2c(CBr)c2ccc3ccccc3c12- InChIKey
IBWBDNBSIFGSLW-UHFFFAOYSA-N- Molecular formula
- C20H15Br
- Average molar mass
- 335.2 g/mol
- Monoisotopic mass
- 334.03571
Overview
7-bromomethyl-12-methylbenz(a)anthracene appears as fine yellow crystals. (NTP, 1992)
Names & identifiers
- Preferred name
- 7-(Bromomethyl)-12-methylbenz(a)anthracene
- IUPAC
- 7-(bromomethyl)-12-methylbenzo[a]anthracene
- English name
- Benz(a)anthracene, 7-bromomethyl-12-methyl.
- Molecular formula
- C20H15Br
- Molecular weight
- 335.24
Names & synonyms
16238-56-57-BROMOMETHYL-12-METHYLBENZ(A)ANTHRACENE7-Bromomethyl-12-methylbenzanthraceneICR 5027-(Bromomethyl)-12-methylbenz(a)anthracene7-bromomethyl-12-methylbenz[a]anthraceneDTXSID3024651OB11678893Benz(a)anthracene, 7-bromomethyl-12-methyl-7-(BROMOMETHYL)-12-METHYLBENZ[A]ANTHRACENERefChem:105893DTXCID504651
Show more names
ICR-5027-Brommethyl-12-methyl-benzanthracen7-BROMOMETHYL-12-METHYLBENZO(A)ANTHRACENEBenz(a)anthracene, 7-bromomethyl-12-methyl.
7-(bromomethyl)-12-methyltetraphene7-bromomethyl-12-methyltetraphene7-BrMe-12-MeBACCRIS 8247-(bromomethyl)-12-methylbenzo[a]anthraceneBRN 2056479CHEBI:20787UNII-OB11678893
Database identifiers
- CAS
16238-56-5- PubChem CID
- 27767
- DTXSID
DTXSID3024651
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Experimental & physicochemical properties
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Melting Point305.2 to 307.9 °F (decomposes) (NTP, 1992)
Physical Description7-bromomethyl-12-methylbenz(a)anthracene appears as fine yellow crystals. (NTP, 1992)
Physicochemical properties
- Boiling point
- 391.41 °C · 391.41°C (rough estimate)
- Density
- 1.3419 · 1.3419 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- FDA UNII
- 11678893 · OB11678893
- EPA Substance Registry System
- 7 · 7-Bromomethyl-12-methylbenz(a)anthracene (16238-56-5)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Reactive GroupHydrocarbons, Aromatic
Reactivity Profile7-BROMOMETHYL-12-METHYLBENZ(A)ANTHRACENE is sensitive to prolonged exposure to light. (NTP, 1992)
Air and Water ReactionsInsoluble in water.
Safety & protection
Fire FightingFires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Chemistry & industry
Applications
General DescriptionFine yellow crystals.
Additional notes
DefinitionChEBI: A member of the class of tetraphenes that is tetraphene in which the hydrogens at positions 7 and 12 are replaced by bromomethyl and methyl groups, respectively.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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