5-Bromo-2-(3,4-dimethylphenoxy)aniline
Basic information
- CAS
946743-55-1- Standard SMILES
Cc1ccc(Oc2ccc(Br)cc2N)cc1C- InChIKey
VVKBRPAXWRTANT-UHFFFAOYSA-N- Molecular formula
- C14H14BrNO
- Average molar mass
- 292.17 g/mol
- Monoisotopic mass
- 291.02588
Names & identifiers
- Preferred name
- 5-Bromo-2-(3,4-dimethylphenoxy)aniline
- IUPAC
- 5-bromo-2-(3,4-dimethylphenoxy)aniline
- English name
- 5-Bromo-2-(3,4-dimethylphenoxy)aniline
- Molecular formula
- C14H14BrNO
- Molecular weight
- 292.17
Names & synonyms
5-BROMO-2-(3,4-DIMETHYLPHENOXY)ANILINE946743-55-1AKOS009173336A1-714965-Bromo-2-(3,4-dimethylphenoxy)benzenamineBenzenamine, 5-bromo-2-(3,4-dimethylphenoxy)-
Database identifiers
- CAS
946743-55-1- PubChem CID
- 26190456
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 365 · 365.0±42.0 °C(Predicted)
- Density
- 1.384 · 1.384±0.06 g/cm3(Predicted)
- pka
- 3.4 · 3.40±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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