CAS 160848-22-6 [6,6]-Phenyl-C61-butyric Acid Methyl Ester

NAVIGATION

[6,6]-Phenyl-C61-butyric Acid Methyl Ester

PRICE INQUIRY

Catalog Number

ACM160848226-4

CAS Number

160848-22-6

Product Name

[6,6]-Phenyl-C61-butyric Acid Methyl Ester

Structure

Category

Carbon Nanomaterials; Dye-Sensitized Solar Cell (DSSC) Materials; Organic Field Effect Transistor (OFET) Materials; Organic Solar Cell (OPV) Materials; Perovskite Solar Cell (PSC) Materials

Synonyms

Methyl [6,6]-Phenyl-C61-butyrate
[60]PCBM
PCBM

Molecular Weight

910.90

Molecular Formula

C72H14O2

Canonical SMILES

COC(=O)CCCC1(C23C14C5=C6C7=C8C5=C9C1=C5C%10=C%11C%12=C%13C%10=C%10C1=C8C1=C%10C8=C%10C%14=C%15C%16=C%17C(=C%12C%12=C%17C%17=C%18C%16=C%16C%15=C%15C%10=C1C7=C%15C1=C%16C(=C%18C7=C2C2=C%10C(=C5C9=C42)C%11=C%12C%10=C%177)C3=C16)C%14=C%138)C1=CC=CC=C1

InChI

InChI=1S/C72H14O2/c1-74-11(73)8-5-9-70(10-6-3-2-4-7-10)71-66-59-52-40-32-23-14-12-13-15-18(14)27-34(32)42-43-35(27)33-24(15)26-22-17(13)20-19-16(12)21-25(23)38(40)46-44-30(21)28(19)36-37-29(20)31(22)45-47-39(26)41(33)53-55(43)64(63(66)54(42)52)67-60(53)58(47)62-51(45)49(37)56-48(36)50(44)61(57(46)59)68(71)65(56)69(62)72(67,70)71/h2-4,6-7H,5,8-9H2,1H3

InChI Key

MCEWYIDBDVPMES-UHFFFAOYSA-N

Melting Point

260 °C

Purity

>99.5%(HPLC)

Appearance

Dark green to Dark red to Black powder to crystal

Storage

Store under inert gas

Complexity

4190

Covalently-Bonded Unit Count

Exact Mass

910.09938g/mol

Formal Charge

Hazard Statements

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

Heavy Atom Count

MDL Number

MFCD07784544

Monoisotopic Mass

910.09938g/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

18.3

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

If you have any other questions or need other size, please get a quote.