CAS 1048679-01-1 Bis-PCBM (mixture of isomers)

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Dye-Sensitized Solar Cell (DSSC) Materials

Bis-PCBM (mixture of isomers)

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Catalog Number

ACM1048679011

Product Name

Bis-PCBM (mixture of isomers)

CAS

1048679-01-1

Category

Dye-Sensitized Solar Cell (DSSC) Materials

Synonyms

Bis[60]PCBM (mixture of isomers)

Molecular Weight

1101.14

Molecular Formula

C84H28O4

Canonical SMILES

COC(=O)CCCC1(C23C14C5=C6C7=C8C9=C1C7=C7C%10=C%11C%12=C7C7=C%13C%14=C%12C%12=C%15C%14=C%14C%16=C%17C%15=C%15C%18=C%12C%11=C(C%18=C2C2=C%15C%17=C%11C%12=C2C3=C2C5=C8C3=C2C%12=C2C%11=C%16C5=C8C2=C3C9=C8C(=C17)C%131C5%14C1(CCCC(=O)OC)C1=CC=CC=C1)C4=C%106)C1=CC=CC=C1

InChI

InChI=1S/C84H28O4/c1-87-21(85)15-9-17-79(19-11-5-3-6-12-19)81-71-55-39-23-25-43-31-27(39)47-35-37-49-29-33-45-26-24-41(29)57(73(81)65(49)63(47)71)58-42(24)30-34-46(26)62-61(45)77-69(53(33)37)67(51(31)35)75-59(43)60-44(25)32-28-40(23)56(55)72-64-48(28)36-38(50(30)66(64)74(58)82(72,79)81)54(34)70-68(52(32)36)76(60)84(78(62)70)80(83(75,77)84,18-10-16-22(86)88-2)20-13-7-4-8-14-20/h3-8,11-14H,9-10,15-18H2,1-2H3

InChI Key

VESBOBHLCIVURF-UHFFFAOYSA-N

Melting Point

221 °C

Purity

>99.0%T

Appearance

Dark green to Dark red to Black powder to crystal

Storage

Store under inert gas

Complexity

3180

Covalently-Bonded Unit Count

Exact Mass

1100.198759g/mol

Formal Charge

Hazard Statements

H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.

Heavy Atom Count

MDL Number

MFCD00004976

Monoisotopic Mass

1100.198759g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.

Rotatable Bond Count

Signal Word

Danger

XLogP3

18.6

MSDS

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COA

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Spec Sheet

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