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75021-72-6

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Basic Information
CAS No.: 75021-72-6
Name: Methyl (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
Article Data: 13
Molecular Structure:
Molecular Structure of 75021-72-6 (Methyl (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate)
Formula: C16H14 Cl2 O4
Molecular Weight: 341.191
Synonyms: Propanoicacid, 2-[4-(2,4-dichlorophenoxy)phenoxy]-, methyl ester, (S)-; (-)-Diclofop-methyl;(S)-(-)-Diclofop-methyl; (S)-Diclofop-methyl
Density: 1.305g/cm3
Boiling Point: 408°C at 760 mmHg
Flash Point: 150.3°C
PSA: 44.76000
LogP: 4.72600
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Chemistry

Molecular Structure of Methyl (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate (CAS NO.75021-72-6):

IUPAC Name: Methyl (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate 
Molecular Formula: C16H14Cl2O4
Molecular Weight: 341.19 
Mol File: 75021-72-6.mol 
XLogP3: 4.8
H-Bond Donor; 0
H-Bond Acceptor: 4
Index of Refraction: 1.562
Molar Refractivity: 84.79 cm3
Molar Volume: 261.3 cm3
Surface Tension: 42.7 dyne/cm
Density: 1.305 g/cm3
Flash Point: 150.3 °C
Enthalpy of Vaporization: 65.99 kJ/mol
Boiling Point: 408 °C at 760 mmHg
Vapour Pressure: 7.24E-07 mmHg at 25 °C
Canonical SMILES: CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl
Isomeric SMILES: C[C@@H](C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl
InChI: InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3/t10-/m0/s1
InChIKey: BACHBFVBHLGWSL-JTQLQIEISA-N

Specification

 Methyl (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate (CAS NO.75021-72-6), its Synonyms are Propanoic acid, 2-(4-(2,4-dichlorophenoxy)phenoxy)-, methyl ester, (2S)- ; Propanoicacid, 2-[4-(2,4-dichlorophenoxy)phenoxy]-, methyl ester, (S)- ; (-)-Diclofop-methyl ; (S)-(-)-Diclofop-methyl ; (S)-Diclofop-methyl ; (2S)-2-(4-(2,4-Dichlorophenoxy)phenoxy)propanoic acid methyl ester .