(1S)-1-(2-chloro-4-fluorophenyl)ethanamine
Basic information
- CAS
1212154-58-9- Standard SMILES
C[C@H](N)c1ccc(F)cc1Cl- InChIKey
JTMGFESJCXOUCW-YFKPBYRVSA-N- Molecular formula
- C8H9ClFN
- Average molar mass
- 173.61 g/mol
Names & identifiers
- Preferred name
- (1S)-1-(2-chloro-4-fluorophenyl)ethanamine
- IUPAC
- (1S)-1-(2-chloro-4-fluorophenyl)ethanamine
- English name
- (1S)-1-(2-Chloro-4-fluorophenyl)ethanamine
- Molecular formula
- C8H9ClFN
- Molecular weight
- 173.6151632
Names & synonyms
1212154-58-9(S)-1-(2-Chloro-4-fluorophenyl)ethan-1-amine(1S)-1-(2-chloro-4-fluorophenyl)ethanamineMFCD07772671(1S)-1-(2-chloro-4-fluorophenyl)ethan-1-amine(S)-1-(2-Chloro-4-fluorophenyl)ethanamineSCHEMBL17767182BS-52621SY384021DB-299467CS-0266673EN300-87933
Show more names
Benzenemethanamine, 2-chloro-4-fluoro-α-methyl-, (αS)-
(1S)-1-(2-chloro-4-fluoro-phenyl)ethanamineE74824F677161(S)-1-(2-Chloro-4-fluorophenyl)ethan-1-amine - [C91355]Benzenemethanamine, 2-chloro-4-fluoro-alpha-methyl-, (alphaS)-
Database identifiers
- CAS
1212154-58-9
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 213.7 · 213.7±25.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 8.44 · 8.44±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
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
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
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Compound notes
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