Basic information
- CAS
477847-01-1- Standard SMILES
Oc1c(Br)cc(Br)cc1C=NC1CCCCCC1- InChIKey
KVIHZFBRIGZKDB-UHFFFAOYSA-N- Molecular formula
- C14H17Br2NO
- Average molar mass
- 375.1 g/mol
- Monoisotopic mass
- 372.96769
Names & identifiers
- Preferred name
- 2,4-Dibromo-6-[(cycloheptylimino)methyl]benzenol
- IUPAC
- 2,4-dibromo-6-(cycloheptyliminomethyl)phenol
- English name
- 2,4-DIBROMO-6-[(CYCLOHEPTYLIMINO)METHYL]BENZENOL
- Molecular formula
- C14H17Br2NO
- Molecular weight
- 375.1
Names & synonyms
477847-01-12,4-dibromo-6-[(cycloheptylimino)methyl]benzenol2,4-dibromo-6-[(1E)-(cycloheptylimino)methyl]phenol2,4-dibromo-6-(cycloheptyliminomethyl)phenolC14H17Br2NOMFCD02082048AKOS005075924AKOS03024349010P-201Phenol, 2,4-dibromo-6-[(cycloheptylimino)methyl]-
Database identifiers
- CAS
477847-01-1- PubChem CID
- 1479934
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 411.6 · 411.6±45.0 °C(Predicted)
- Density
- 1 · 1+-.0.1 g/cm3(Predicted)
- pka
- 10.93 · 10.93±0.20(Predicted)
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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