9,10-Dibenzylanthracene
Basic information
- CAS
3613-42-1- Standard SMILES
c1ccc(Cc2c3ccccc3c(Cc3ccccc3)c3ccccc23)cc1- InChIKey
FMVRRCDBALUUBI-UHFFFAOYSA-N- Molecular formula
- C28H22
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.1721507
Names & identifiers
- Preferred name
- 9,10-Dibenzylanthracene
- IUPAC
- 9,10-dibenzylanthracene
- English name
- 9,10-dibenzylanthracene
- Molecular formula
- C28H22
- Molecular weight
- 358.47
Names & synonyms
9,10-Dibenzylanthracene3613-42-1Anthracene, 9,10-bis(phenylmethyl)-9,10-bis(phenylmethyl)anthraceneDG2YEO5VGBEINECS 222-785-0Anthracene, 9,10-dibenzyl-FMVRRCDBALUUBI-UHFFFAOYSA-DTXSID60189704RefChem:548758DTXCID80112195222-785-0
Show more names
9,10Dibenzylanthrancene9,10-bis(benzyl)anthracene
InChI=1/C28H22/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)28(20-22-13-5-2-6-14-22)26-18-10-8-16-24(26)27/h1-18H,19-20H2DibenzylanthracenUNII-DG2YEO5VGBSCHEMBL1841464AKOS024427258DB-253665NS00029981Q27891526
Database identifiers
- CAS
3613-42-1- PubChem CID
- 77160
- DTXSID
DTXSID60189704- UNII
- DG2YEO5VGB
- EC Number
- 222-785-0
- Nikkaji
- J205.540F
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 246.5 °C · 246.5°C
- Boiling point
- 425.89 °C · 425.89°C (rough estimate)
- Density
- 1.1787 · 1.1787
- refractive index
- 1.486 · 1.4860 (estimate)
- FDA UNII
- 2 YEO5VGB · DG2YEO5VGB
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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