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Basic Information
CAS No.: 31301-20-9
Name: (2R,3S)-3-(4-chlorophenyl)-2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one
Molecular Structure:
Molecular Structure of 31301-20-9 ((2R,3S)-3-(4-chlorophenyl)-2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one)
Formula: C28H30 Cl N O2
Molecular Weight: 448.04
Synonyms: Butyrophenone,3-(p-chlorophenyl)-2-phenyl-4'-[2-(1-pyrrolidinyl)ethoxy]-, erythro- (8CI)
Density: 1.163g/cm3
Boiling Point: 583.9°Cat760mmHg
Flash Point: 306.9°C
Safety: Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx, and Cl−.
PSA: 29.54000
LogP: 6.52270
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  • 1-Butanone,3-(4-chlorophenyl)-2-phenyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, (R*,S*)-(9CI)

  • Casno:

    31301-20-9

    1-Butanone,3-(4-chlorophenyl)-2-phenyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, (R*,S*)-(9CI)

    Min.Order: 100 Gram

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    Appearance:liquid Storage:Store the container tightly closed in a dry, cool and well-ventilated place. Store apart from foodstuff containers or incompatible materials. Package:Grams, Kilograms Application:For R&D and commerical use Transportati

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Chemistry

IUPAC Name: (2R,3S)-3-(4-chlorophenyl)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl] butan-1-one 
Empirical Formula: C28H30ClNO2
Molecular Weight: 447.9963g/mol
Structure of erythro-3-(p-Chlorophenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)butyrophenone (CAS NO.31301-20-9):

Index of Refraction: 1.594
Molar Refractivity: 130.75 cm3
Molar Volume: 385.1 cm3
Polarizability: 51.83×10-24cm3
Surface Tension: 46.4 dyne/cm
Density: 1.163 g/cm3
Flash Point: 306.9 °C
Enthalpy of Vaporization: 87.27 kJ/mol
Boiling Point: 583.9 °C at 760 mmHg
Vapour Pressure: 1.27E-13 mmHg at 25°C 
Classification Code: Reproductive Effect
Canonical SMILES: CC(C1=CC=C(C=C1)Cl)C(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OCCN4CCCC4
Isomeric SMILES: C[C@H](C1=CC=C(C=C1)Cl)[C@H](C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OCCN4CCCC4
InChI: InChI=1S/C28H30ClNO2/c1-21(22-9-13-25(29)14-10-22)27(23-7-3-2-4-8-23)28(31)24-11-15-26(16-12-24)32-20-19-30-17-5-6-18-30/h2-4,7-16,21,27H,5-6,17-20H2,1H3/t21-,27-/m1/s1
InChIKey: RBRMEVZJJCDZNM-JIPXPUAJSA-N

Safety Profile

Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx, and Cl−.

Specification

  erythro-3-(p-Chlorophenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)butyrophenone , its cas register number is 31301-20-9. It also can be called Butyrophenone, 3-(p-chlorophenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)-, erythro- .