Basic information
- CAS
22699-97-4- Standard SMILES
COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC- InChIKey
LEGVQFQAMCUMQW-UHFFFAOYSA-N- Molecular formula
- C18H20O6
- Average molar mass
- 332.3 g/mol
- Monoisotopic mass
- 332.12598836
Names & identifiers
- Preferred name
- 3,3',4,4',5-Pentamethoxybenzophenone
- IUPAC
- (3,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
- English name
- Methanone, (3,4-dimethoxyphenyl)(3,4,5-trimethoxyphenyl)-
- Molecular formula
- C18H20O6
- Molecular weight
- 332.35
Names & synonyms
22699-97-43,3',4,4',5-PentamethoxybenzophenoneDTXSID10292272RefChem:484839DTXCID40243414654-478-6(3,4-dimethoxyphenyl)(3,4,5-trimethoxyphenyl)methanone(3,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanoneMLS002694421MFCD00025726NSC81274Benzophenone, 3,3',4,4',5-pentamethoxy-
Show more names
CHEMBL47505SCHEMBL4824662SCHEMBL31369135Methanone,(3,4-dimethoxyphenyl)(3,4,5-trimethoxyphenyl)-LEGVQFQAMCUMQW-UHFFFAOYSA-NHMS3089I16Methanone, (3,4-dimethoxyphenyl)(3,4,5-trimethoxyphenyl)-NSC-81274
Database identifiers
- CAS
22699-97-4- PubChem CID
- 255605
- DTXSID
DTXSID10292272- ChEMBL
CHEMBL47505- EC Number
- 654-478-6
- Nikkaji
- J146.010B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Melting point
- 119 · 119-120 °C
- Boiling point
- 490.3 · 490.3±45.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 67 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers4 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
RIEKE[email protected]
SIGMAALDRICH—
Related reactions
3 records
Compound notes
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