2'-Bromo-2,4,6-trimethoxy-1,1'-biphenyl
Basic information
- CAS
755017-63-1- Standard SMILES
COc1cc(OC)c(-c2ccccc2Br)c(OC)c1- InChIKey
AFNIHMFKOSVKDT-UHFFFAOYSA-N- Molecular formula
- C15H15BrO3
- Average molar mass
- 323.18 g/mol
- Monoisotopic mass
- 322.02046
Names & identifiers
- Preferred name
- 2'-Bromo-2,4,6-trimethoxy-1,1'-biphenyl
- IUPAC
- 2-(2-bromophenyl)-1,3,5-trimethoxybenzene
Names & synonyms
2'-Bromo-2,4,6-trimethoxy-1,1'-biphenyl755017-63-1DTXSID40822920RefChem:241117DTXCID60773662
Database identifiers
- CAS
755017-63-1- PubChem CID
- 71401909
- DTXSID
DTXSID40822920- EC Number
- 633-284-5
- Nikkaji
- J2.075.320J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 260
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
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 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 CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…