CAS 652145-28-3 D 102 - Materials / Alfa Chemistry

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Dye-Sensitized Solar Cell (DSSC) Materials

D 102

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Catalog Number

ACM652145283-2

Product Name

D 102

Structure

CAS

652145-28-3

Category

Dye-Sensitized Solar Cell (DSSC) Materials

Synonyms

2-[5-[[4-[4-(2,2-Diphenylvinyl)phenyl]-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indol-7-yl]methylene]-4-oxo-2-thioxothiazolidin-3-yl]acetic Acid

IUPAC Name

2-[(5Z)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Molecular Weight

614.78

Molecular Formula

C37H30N2O3S2

Canonical SMILES

C1CC2C(C1)N(C3=C2C=C(C=C3)C=C4C(=O)N(C(=S)S4)CC(=O)O)C5=CC=C(C=C5)C=C(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C37H30N2O3S2/c40-35(41)23-38-36(42)34(44-37(38)43)22-25-16-19-33-31(21-25)29-12-7-13-32(29)39(33)28-17-14-24(15-18-28)20-30(26-8-3-1-4-9-26)27-10-5-2-6-11-27/h1-6,8-11,14-22,29,32H,7,12-13,23H2,(H,40,41)/b34-22-

InChI Key

XGMCROHUTRXETK-VQNDASPWSA-N

Melting Point

307 °C(dec.)

Purity

>96.0%HPLC

Appearance

Yellow to Amber to Dark red powder to crystal

Storage

Store under inert gas

Complexity

1130

Covalently-Bonded Unit Count

Exact Mass

614.169785g/mol

Formal Charge

Hazard Statements

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

Heavy Atom Count

MDL Number

MFCD11042213

Monoisotopic Mass

614.169785g/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

9.1

MSDS

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COA

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Spec Sheet

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