3-Bromo-2-fluoro-6-methoxybenzaldehyde
Basic information
- CAS
1160653-94-0- Standard SMILES
COc1ccc(Br)c(F)c1C=O- InChIKey
ZFSQBXCQHSTLJT-UHFFFAOYSA-N- Molecular formula
- C8H6BrFO2
- Average molar mass
- 233.03 g/mol
Names & identifiers
- Preferred name
- 3-Bromo-2-fluoro-6-methoxybenzaldehyde
- IUPAC
- 3-bromo-2-fluoro-6-methoxybenzaldehyde
- English name
- 3-bromo-2-fluoro-6-methoxybenzaldehyde
- Molecular formula
- C8H6BrFO2
- Molecular weight
- 233.03
Names & synonyms
3-Bromo-2-fluoro-6-methoxybenzaldehyde1160653-94-0RefChem:498447846-267-4MFCD15528066Benzaldehyde, 3-bromo-2-fluoro-6-methoxy-3-bromo-2-fluoro-6-methoxy-benzaldehydeSCHEMBL276550SCHEMBL30853338ZFSQBXCQHSTLJT-UHFFFAOYSA-NKWB65394AKOS023125767
Show more names
BS-50050SY418558DB-128251CS-0195367EN300-1708496F384996Z1269137060
Database identifiers
- CAS
1160653-94-0- PubChem CID
- 57743221
- EC Number
- 846-267-4
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 272.5 · 272.5±35.0 °C(Predicted)
- Density
- 1.601 · 1.601±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- solid
- color
- Very dark orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P304+P340-P405-P501
- HS Code
- 2913000090 · 2913000090
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 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2913000090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P261-P280-P305+P351+P338-P304+P340-P405-P501
Suppliers
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Related reactions
4 records
Compound notes
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