CAS 177716-59-5 Poly[2-methoxy-5-(3,7-dimethyloctyloxy) phenylenevinylene-1,4-diyl], Mw 100,000-1000,000 by GPC

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Poly[2-methoxy-5-(3,7-dimethyloctyloxy) phenylenevinylene-1,4-diyl], Mw 100,000-1000,000 by GPC

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Catalog Number

ACM177716595-1

Product Name

Poly[2-methoxy-5-(3,7-dimethyloctyloxy) phenylenevinylene-1,4-diyl], Mw 100,000-1000,000 by GPC

Structure

CAS

177716-59-5

Category

Organic Solar Cell (OPV) Materials

Description

Solid

IUPAC Name

4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

Molecular Weight

375.9g/mol

Molecular Formula

C21H23ClFNO2

Canonical SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2

InChI Key

LNEPOXFFQSENCJ-UHFFFAOYSA-N

Melting Point

151.5 °C;151.5 °C;151.5°C

Solubility

3.72e-05 M;In water, 1.4X10+1 mg/L @ 25 °C;16.7 mg/ml in alcohol at 25 °C;Freely sol in chloroform, methanol, acetone, benzene, dil acids;4.46e-03 g/L;23.5 [ug/mL]

Color/Form

Crystals;WHITE TO FAINTLY YELLOWISH, AMORPHOUS OR MICRO-CRYSTALLINE POWDER

Complexity

451

Covalently-Bonded Unit Count

EC Number

200-155-6;612-377-4

Exact Mass

375.140135g/mol

Formal Charge

Heavy Atom Count

Log P

4.3 (LogP);log Kow = 4.30;4

MeSH Entry Terms

Haldol;Haloperidol

Monoisotopic Mass

375.140135g/mol

NSC Number

757054;615296;170973

Other Experimental

Crystals; mp 226-227.5 °C; sol in water at 300X10+1 mg/L /Hydrochloride/;Henry's Law constant = 2.3X10-14 atm-cu m/mol @ 25 °C /Estimated/;Hydroxyl radical reaction rate constant = 1.2X10-10 cu cm/molec-sec @ 25 °C /Estimated/

Rotatable Bond Count

UNII

J6292F8L3D

Vapor Pressure

4.8X10-11 mm Hg @ 25 °C /Estimated/

XLogP3

3.2

MSDS

Download MSDS

COA

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Spec Sheet