5-Bromo-2-isopropylaniline
Basic information
- CAS
923148-28-1- Standard SMILES
CC(C)c1ccc(Br)cc1N- InChIKey
ZMERBKWVCCZOPO-UHFFFAOYSA-N- Molecular formula
- C9H12BrN
- Average molar mass
- 214.1 g/mol
- Monoisotopic mass
- 213.01531
Names & identifiers
- Preferred name
- 5-Bromo-2-isopropylaniline
- IUPAC
- 5-bromo-2-propan-2-ylaniline
- English name
- 5-Bromo-2-isopropylaniline
- Molecular formula
- C9H12BrN
- Molecular weight
- 214.1
Names & synonyms
5-bromo-2-isopropylaniline923148-28-15-Bromo-2-(propan-2-yl)anilineMFCD092219095-bromo-2-isopropyl-aniline5-bromo-2-propan-2-ylanilineSCHEMBL13083762GS2810AKOS000103566SY475676DB-427469CS-0191911
Show more names
Benzenamine, 5-bromo-2-(1-methylethyl)-
E90194EN300-194988F629713
Database identifiers
- CAS
923148-28-1- PubChem CID
- 20109103
- EC Number
- 193-380-3
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 288.1 · 288.1±20.0 °C(Predicted)
- Density
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- pka
- 3.35 · 3.35±0.10(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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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