5-Bromo-2-fluorobenzaldehyde
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Basic information
- CAS
93777-26-5- Standard SMILES
O=Cc1cc(Br)ccc1F- InChIKey
MMFGGDVQLQQQRX-UHFFFAOYSA-N- Molecular formula
- C7H4BrFO
- Average molar mass
- 203.01 g/mol
- Monoisotopic mass
- 201.94295507
Names & identifiers
- Preferred name
- 5-Bromo-2-fluorobenzaldehyde
- IUPAC
- 5-bromo-2-fluorobenzaldehyde
- English name
- 5-Bromo-2-fluorobenzaldehyde
- Molecular formula
- C7H4BrFO
- Molecular weight
- 203.01
Names & synonyms
5-Bromo-2-fluorobenzaldehyde93777-26-5MMFGGDVQLQQQRX-UHFFFAOYSA-DTXSID40918074RefChem:102125DTXCID501347028298-056-6EINECS 298-056-6InChI=1/C7H4BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H2-fluoro-5-bromobenzaldehydeMFCD000707555-bromo-2-fluoro-benzaldehyde
Show more names
AKOS BBS-00003261LABOTEST-BB LT011433035-Bromo-2-fluorobenzaldehyd5-Bromo-2-fluorobenzaldehyde98%5-Bromo-2-fluorobenzaldehyde 98%5-Bromo-2-fluorobenzaldehyde >
2-fluoro-5-bromo benzaldehydeBenzaldehyde, 5-bromo-2-fluoro-3-bromo-6-fluorobenzaldehyde5-bromo-2-fluoro benzaldehydeSCHEMBL18699Benzaldehyde, 5-bromo-22-fluoro-5-bromo-benzaldehyde3-bromo-6-fluoro-benzaldehyde
Database identifiers
- CAS
93777-26-5- PubChem CID
- 736327
- DTXSID
DTXSID40918074- EC Number
- 298-056-6
- Nikkaji
- J348.675C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Melting point
- 58 · 58-62°C
- Boiling point
- 230 °C · 230 °C (lit.)
- Density
- 1.71 g/mL · 1.71 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.57(lit.)
- Flash point
- 229 °F · 229 °F
- storage temp.
- 2 · 2-8°C
- form
- powder to lump to clear liquid
- Specific Gravity
- 1.71 · 1.710
- color
- White or Colorless to Light yellow
- Water Solubility
- INSOLUBLE
- Sensitive
- Air Sensitive
- BRN
- 7632798 · 7632798
- InChI
- InChI=1S/C7H4BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
- InChIKey
- MMFGGDVQLQQQRX-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC(Br)=CC=C1F
- CAS DataBase Reference
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29130000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses5-Bromo-2-fluorobenzaldehyde is used for the preparation of benzimidazole derivatives as inhibitors of leukotriene production.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
286 records
Compound notes
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