1-(3-chloro-5-fluorophenyl)-N-methylmethanamine
Completing data — refresh the page later to see the latest
Basic information
- CAS
90390-34-4- Standard SMILES
CNCc1cc(F)cc(Cl)c1- InChIKey
UXCAGNGRRXUUOK-UHFFFAOYSA-N- Molecular formula
- C8H9ClFN
- Average molar mass
- 173.61 g/mol
- Monoisotopic mass
- 173.0407551
Names & identifiers
- Preferred name
- 1-(3-chloro-5-fluorophenyl)-N-methylmethanamine
- IUPAC
- 1-(3-chloro-5-fluorophenyl)-N-methylmethanamine
- English name
- 1-(3-chloro-5-fluoro-phenyl)-N-methyl-methanamine
- Molecular formula
- C8H9ClFN
- Molecular weight
- 173.62
Names & synonyms
90390-34-41-(3-chloro-5-fluorophenyl)-N-methylmethanamineBenzenemethanamine, 3-chloro-5-fluoro-N-methyl-1-(3-CHLORO-5-FLUORO-PHENYL)-N-METHYL-METHANAMINE3-CHLORO-5-FLUORO-N-METHYL-BENZENEMETHANAMINE[(3-CHLORO-5-FLUOROPHENYL)METHYL](METHYL)AMINESCHEMBL4826459CHEMBL1178109DTXSID90238153MFCD20679038BS-515503-Chloro-5-fluoro-N-methylbenzenemethanamine
Show more names
(3-chloro-5-fluorophenyl)methyl](methyl)amine hydrochloride
(3-chloro-5-fluorophenyl)methyl](methyl)amineE79775EN300-1986001F8503151-(3-Chloro-5-fluorophenyl)-N-methylmethanamine - [C93003]
Database identifiers
- CAS
90390-34-4- PubChem CID
- 457617
- DTXSID
DTXSID90238153- ChEMBL
CHEMBL1178109
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Boiling point
- 200.2 · 200.2±25.0 °C(Predicted)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- pka
- 8.95 · 8.95±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…