Fmoc-4-chloro-L-phenylalanine

Base Information

• Chemical Name: Fmoc-4-chloro-L-phenylalanine
• CAS No.: 175453-08-4
• Molecular Formula: C24H20ClNO4
• Molecular Weight: 421.88
• Hs Code.: 29242990
• European Community (EC) Number: 695-934-4
• DSSTox Substance ID: DTXSID10370322
• Wikidata: Q72478193
• Mol file: 175453-08-4.mol

Synonyms:175453-08-4;Fmoc-4-chloro-L-phenylalanine;Fmoc-Phe(4-Cl)-OH;(s)-n-fmoc-4-chlorophenylalanine;(2S)-3-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;FMOC-L-4-CHLOROPHE;FMOC-4-CHLORO-PHE-OH;MFCD00080281;Phenylalanine, 4-chloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-;Fmoc-L-phe(4-Cl)-OH;(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-chlorophenyl)propanoic acid;SCHEMBL119296;DTXSID10370322;Fmoc-p-chloro-Phe-OH;(S)-3-(4-Chloro-phenyl)-2-(Fmoc-amino)-propionic acid;L-Phenylalanine, 4-chloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-;AKOS015837287;AKOS015895310;AC-8680;AM82752;CS-W009687;HY-W008971;Fmoc-Phe(4-Cl)-OH, >=98.0%;PS-12131;A50199;EN300-1662993;A812087;J-300391;N-ALPHA-(9-FLUORENYLMETHYLOXYCARBONYL)-L-4-CHLORO-PHENYLALANINE;(2S)-3-(4-chlorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid;(S)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-3-(4-CHLOROPHENYL)PROPANOIC ACID

Chemical Property of Fmoc-4-chloro-L-phenylalanine

Chemical Property:

• Appearance/Colour: off-white powder
• Melting Point: 138 °C
• Refractive Index: 1.6290 (estimate)
• Boiling Point: 640.9 °C at 760 mmHg
• PKA: 3.72±0.10(Predicted)
• Flash Point: 341.4 °C
• PSA: 75.63000
• Density: 1.337 g/cm³
• LogP: 5.26530
• Storage Temp.: 2-8°C
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 421.1080858
• Heavy Atom Count: 30
• Complexity: 584

Purity/Quality:

98%,99%, ^*data from raw suppliers

Fmoc-4-chloro-l-phenylalanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)O
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)Cl)C(=O)O