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63905-33-9

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Basic Information
CAS No.: 63905-33-9
Name: N-[(2,4-dichlorophenoxy)acetyl]phenylalanine
Article Data: 2
Molecular Structure:
Molecular Structure of 63905-33-9 (N-[(2,4-dichlorophenoxy)acetyl]phenylalanine)
Formula: C17H15 Cl2 N O4
Molecular Weight: 368.216
Synonyms: DL-Phenylalanine,N-[(2,4-dichlorophenoxy)acetyl]-
Density: 1.389g/cm3
Boiling Point: 612.1°C at 760 mmHg
Flash Point: 324°C
Safety: A poison by parenteral route. When heated to decomposition it emits toxic vapors of NOx and Cl−.
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Chemistry

Empirical Formula of DL-N-(2,4-Dichloro-phenoxyacetyl)-3-phenylalanine (CAS NO.63905-33-9): C17H15Cl2NO4
Molecular Weight: 368.2113 
Index of Refraction: 1.601
Density: 1.389 g/cm3
Flash Point: 324 °C
Enthalpy of Vaporization: 95.54 kJ/mol
Boiling Point: 612.1 °C at 760 mmHg
Vapour Pressure: 7.75E-16 mmHg at 25 °C
Structure of DL-N-(2,4-Dichloro-phenoxyacetyl)-3-phenylalanine (CAS NO.63905-33-9):
                         
IUPAC Name: 2-[[2-(2,4-Dichlorophenoxy)acetyl]amino]-3-phenylpropanoic acid
Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)O)NC(=O)COC2=C(C=C(C=C2)Cl)Cl
InChI: InChI=1S/C17H15Cl2NO4/c18-12-6-7-15(13(19)9-12)24-10-16(21)20-14(17(22)23)8-11-4-2-1-3-5-11/h1-7,9,14H,8,10H2,(H,20,21)(H,22,23)
InChIKey: YPUCAGJECDDDTR-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

par-mus LDLo:40 mg/kg

     CBCCT*    “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 7 (1955),685.

Safety Profile

A poison by parenteral route. When heated to decomposition DL-N-(2,4-Dichloro-phenoxyacetyl)-3-phenylalanine (CAS NO.63905-33-9) emits toxic vapors of NOx and Cl−.

Specification

 DL-N-(2,4-Dichloro-phenoxyacetyl)-3-phenylalanine , its cas register number is 63905-33-9. It also can be called CBDivE_012534 ; and Alanine, N-(2,4-dichloro-phenoxyacetyl)-3-phenyl-, DL- .