2-Bromo-3,5-dimethoxybenzaldehyde
Basic information
- CAS
85565-93-1- Standard SMILES
COc1cc(C=O)c(Br)c(OC)c1- InChIKey
SOKPGTRDTOKLPD-UHFFFAOYSA-N- Molecular formula
- C9H9BrO3
- Average molar mass
- 245.07 g/mol
- Monoisotopic mass
- 243.97351
Names & identifiers
- Preferred name
- 2-Bromo-3,5-dimethoxybenzaldehyde
- IUPAC
- 2-bromo-3,5-dimethoxybenzaldehyde
- English name
- 2-Bromo-3,5-dimethoxybenzaldehyde
- Molecular formula
- C9H9BrO3
- Molecular weight
- 245.07
Names & synonyms
2-Bromo-3,5-dimethoxybenzaldehyde85565-93-1DTXSID30466736RefChem:257004DTXCID20417555Benzaldehyde,2-bromo-3,5-dimethoxy-2-bromo-3,5-dimethoxy-benzaldehydeSCHEMBL120483SOKPGTRDTOKLPD-UHFFFAOYSA-N2-Brom-3,5-dimethoxy-benzaldehydMFCD00797471AKOS022662653
Show more names
Benzaldehyde, 2-bromo-3,5-dimethoxy-2-bromo-3,5-dimethoxybenzaldehyde - [AC80730]
AT20024CS-0224226EN300-1183421F646364Z1269228623
Database identifiers
- CAS
85565-93-1- PubChem CID
- 11463151
- DTXSID
DTXSID30466736- EC Number
- 179-384-8
- Nikkaji
- J464.514F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification 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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
6 records
Compound notes
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