4-Bromo-2,3,5,6-tetrafluorobenzaldehyde
Basic information
- CAS
108574-98-7- Standard SMILES
O=Cc1c(F)c(F)c(Br)c(F)c1F- InChIKey
ABQIERQXAUMNCS-UHFFFAOYSA-N- Molecular formula
- C7HBrF4O
- Average molar mass
- 256.98 g/mol
- Monoisotopic mass
- 255.91468963
Names & identifiers
- Preferred name
- 4-Bromo-2,3,5,6-tetrafluorobenzaldehyde
- IUPAC
- 4-bromo-2,3,5,6-tetrafluorobenzaldehyde
- English name
- 4-bromo-2,3,5,6-tetrafluorobenzaldehyde
- Molecular formula
- C7HBrF4O
- Molecular weight
- 256.98
Names & synonyms
4-bromo-2,3,5,6-tetrafluorobenzaldehyde108574-98-7DTXSID80546335RefChem:290555DTXCID60497119Benzaldehyde, 4-bromo-2,3,5,6-tetrafluoro-MFCD31652790SCHEMBL9322221ABQIERQXAUMNCS-UHFFFAOYSA-NIEA57498AKOS037645982AS-65487
Show more names
SY2529344-bromo-2,3,5,6-tetrafluoro-benzaldehydeCS-0059751W17265EN300-6508492F546582Z2733548800
Database identifiers
- CAS
108574-98-7- PubChem CID
- 13670570
- DTXSID
DTXSID80546335- EC Number
- 101-131-7
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 101 · 101-103 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 220.1 · 220.1±40.0 °C(Predicted)
- Density
- 1.916 · 1.916±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- Yellow to brown Solid
- InChI
- InChI=1S/C7HBrF4O/c8-3-6(11)4(9)2(1-13)5(10)7(3)12/h1H
- InChIKey
- ABQIERQXAUMNCS-UHFFFAOYSA-N
- SMILES
- C(=O)C1=C(F)C(F)=C(Br)C(F)=C1F
- 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, P317, 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
4 records
Compound notes
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