Basic information
- CAS
603940-86-9- Standard SMILES
NC(Cc1c(F)cccc1Cl)C(=O)O- InChIKey
GCLUSJAPDJYKDX-UHFFFAOYSA-N- Molecular formula
- C9H9ClFNO2
- Average molar mass
- 217.62 g/mol
- Monoisotopic mass
- 217.03058443
Names & identifiers
- Preferred name
- 2-Chloro-6-fluoro-DL-phenylalanine
- IUPAC
- 2-amino-3-(2-chloro-6-fluorophenyl)propanoic acid
- English name
- 2-Chloro-6-fluoro-Dl-phenylalanine
- Molecular formula
- C9H9ClFNO2
- Molecular weight
- 217.62
Names & synonyms
2-CHLORO-6-FLUORO-DL-PHENYLALANINE603940-86-92-amino-3-(2-chloro-6-fluorophenyl)propanoic acidMFCD041160052-Chloro-6-fluorophenylalanineDTXSID80407396SBB095472AKOS010756880AS-32894CS-0454186EN300-1408862-Amino-3-(2-chloro-6-fluorophenyl)propionic acid
Show more names
Phenylalanine, 2-chloro-6-fluoro-6-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
Z8210539422-Chloro-6-fluoro-DL-phenylalanine (H-DL-Phe(2-Cl,6-F)-OH)
Database identifiers
- CAS
603940-86-9- PubChem CID
- 5000263
- DTXSID
DTXSID80407396
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 333.502 · 333.502±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.417 · 1.417±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Store at Room Tem.
- pka
- 2.161 · 2.161±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- HS Code
- 2922498590 · 2922498590
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
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers6 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
上海禾午生物科技有限公司021-57886085 17317861055 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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