CAS 652145-29-4 D 131 - Materials / Alfa Chemistry

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Dye-Sensitized Solar Cell (DSSC) Materials

D 131

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Catalog Number

ACM652145294-1

Product Name

D 131

CAS

652145-29-4

Category

Dye-Sensitized Solar Cell (DSSC) Materials

Synonyms

2-Cyano-3-[4-[4-(2,2-diphenylvinyl)phenyl]-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indol-7-yl]acrylic Acid

IUPAC Name

(E)-2-cyano-3-[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]prop-2-enoic acid

Molecular Weight

508.62

Molecular Formula

C35H28N2O2

Canonical SMILES

C1CC2C(C1)N(C3=C2C=C(C=C3)C=C(C#N)C(=O)O)C4=CC=C(C=C4)C=C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H28N2O2/c36-23-28(35(38)39)20-25-16-19-34-32(22-25)30-12-7-13-33(30)37(34)29-17-14-24(15-18-29)21-31(26-8-3-1-4-9-26)27-10-5-2-6-11-27/h1-6,8-11,14-22,30,33H,7,12-13H2,(H,38,39)/b28-20+

InChI Key

GOTRYMLNXIJMCB-VFCFBJKWSA-N

Melting Point

307 °C(dec.)

Purity

>98.0%HPLC

Appearance

Light red to Yellow to Red powder to crystal

Storage

Store under inert gas

Complexity

950

Covalently-Bonded Unit Count

Exact Mass

508.215078g/mol

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD11042213

Monoisotopic Mass

508.215078g/mol

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Rotatable Bond Count

Signal Word

Warning

XLogP3

8.4

MSDS

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COA

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Spec Sheet

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