3-Bromo-4-fluoro-2-methoxyaniline
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Basic information
- CAS
1257535-12-8- Standard SMILES
COc1c(N)ccc(F)c1Br- InChIKey
STJSFBKAABBREW-UHFFFAOYSA-N- Molecular formula
- C7H7BrFNO
- Average molar mass
- 220.04 g/mol
- Monoisotopic mass
- 218.9695
Names & identifiers
- Preferred name
- 3-Bromo-4-fluoro-2-methoxyaniline
- IUPAC
- 3-bromo-4-fluoro-2-methoxyaniline
- English name
- 6-Amino-2-bromo-3-fluoroanisole
- Molecular formula
- C7H7BrFNO
- Molecular weight
- 220.04
Names & synonyms
3-Bromo-4-fluoro-2-methoxyaniline1257535-12-8MFCD18071064Benzenamine, 3-bromo-4-fluoro-2-methoxy-6-Amino-2-bromo-3-fluoroanisoleSCHEMBL25529592SCHEMBL30079408DTXSID8012765233-bromo-4-fluoro-2-methoxy-anilineAKOS0273851303-Bromo-4-fluoro-2-methoxybenzenamineSB79817
Show more names
3-Bromo-4-fluoro-2-methoxy-phenylaminePS-11698H38985EN300-12953696-Amino-2-bromo-3-fluoroanisole, 3-Bromo-4-fluoro-o-anisidine
Database identifiers
- CAS
1257535-12-8- PubChem CID
- 53395660
- DTXSID
DTXSID801276523
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 257.5 · 257.5±35.0 °C(Predicted)
- Density
- 1.616 · 1.616±0.06 g/cm3(Predicted)
- pka
- 3.52 · 3.52±0.10(Predicted)
- form
- liquid
- color
- Orange/green
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P270-P280
- HS Code
- 2922290090 · 2922290090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2922290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P270-P280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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