4-Bromo-n,3-dimethylaniline
Basic information
- CAS
80948-74-9- Standard SMILES
CNc1ccc(Br)c(C)c1- InChIKey
KTOXSFXMKFCJGE-UHFFFAOYSA-N- Molecular formula
- C8H10BrN
- Average molar mass
- 200.08 g/mol
- Monoisotopic mass
- 198.99966
Names & identifiers
- Preferred name
- 4-Bromo-n,3-dimethylaniline
- IUPAC
- 4-bromo-N,3-dimethylaniline
- English name
- (4-Bromo-3-methyl-phenyl)-methyl-amine
- Molecular formula
- C8H10BrN
- Molecular weight
- 200.08
Names & synonyms
4-bromo-n,3-dimethylaniline80948-74-94-Bromo-3,N-dimethylaniline4-bromo-N,3-dimethylbenzenamineMFCD100004124-bromo-N,3-dimethyl-anilineSCHEMBL5840849KTOXSFXMKFCJGE-UHFFFAOYSA-NDTXSID601304223FDA94874AKOS000256113FS-2362
Show more names
Benzenamine, 4-bromo-N,3-dimethyl-
(4-Bromo-3-methyl-phenyl)-methyl-amineSY083257n-(4-bromo-3-methylphenyl)-n-methylamineCS-0280513EN300-79813G19768F045850Z335264426
Database identifiers
- CAS
80948-74-9- PubChem CID
- 21886573
- DTXSID
DTXSID601304223
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 149 · 149-150 °C(Press: 13 Torr)
- Density
- 1.415 · 1.415±0.06 g/cm3(Predicted)
- pka
- 4.11 · 4.11±0.25(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
5 records
Compound notes
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