Basic information
- CAS
90508-14-8- Standard SMILES
O=C(CCC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
CYZDQGZPWLZZIP-UHFFFAOYSA-N- Molecular formula
- C42H34O2
- Average molar mass
- 570.7 g/mol
- Monoisotopic mass
- 570.25588032
Names & identifiers
- Preferred name
- 1,1,1,6,6,6-Hexaphenyl-hexane-2,5-dione
- IUPAC
- 1,1,1,6,6,6-hexakis-phenylhexane-2,5-dione
- English name
- 1,1,1,6,6,6-hexaphenylhexane-2,5-dione
- Molecular formula
- C42H34O2
- Molecular weight
- 570.71816
Names & synonyms
1,1,1,6,6,6-HEXAPHENYL-HEXANE-2,5-DIONERefChem:40941990508-14-8653-968-7AKOS0244302561,1,1,6,6,6-hexaphenylhexane-2,5-dione
Database identifiers
- CAS
90508-14-8- PubChem CID
- 5222385
- EC Number
- 653-968-7
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 718
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · 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, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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