1-(3-BUTOXYCARBONYLPROPYL)-1-PHENYL-[6.6]C61

CAS No.
571177-66-7
CCD No.
CCD00825010
Formula
C75 H20 O2
MolWeight
952.981

Basic Information

Product Name: 1-(3-BUTOXYCARBONYLPROPYL)-1-PHENYL-[6.6]C61
CAS: 571177-66-7
English Synonyms: [60]PCB-C4 ; 1-(3-BUTOXYCARBONYLPROPYL)-1-PHENYL-[6.6]C61 ; PHENYL C61-BUTYRIC ACID N-BUTYL ESTER [60] FULLERENE ; [6,6]-PHENYL-C61 BUTYRIC ACID BUTYL ESTER ; PCBB
MDL Number.: MFCD09842755
H bond acceptor: 2
H bond donor: 0
Smile: CCCCOC(=O)CCCC1(C23C14c5c6c7c8c9c1c%10c%11c%12c%13c%14c%10c%10c9c7c7c5c5c2c2c9c%15c(c%13c%13c%12c%12c%16c%11c1c1c8c8c6c4c4c6c8c1c%16c1c%12c8c%13c%15c%11c8c(c16)c4c3c%112)c1c%14c%10c7c5c19)c1ccccc1
InChi: InChI=1S/C75H20O2/c1-2-3-12-77-14(76)10-7-11-73(13-8-5-4-6-9-13)74-69-61-53-43-33-25-17-15-16-19-23-21(17)29-37-31(23)41-35-27(19)28-20(16)24-22-18(15)26(25)34-40-30(22)38-32(24)42-36(28)46-45(35)55-49(41)59-51(37)57(47(53)39(29)33)65(69)67(59)71-63(55)64-56(46)50(42)60-52(38)58-48(40)54(44(34)43)62(61)70(74)66(58)68(60)72(64)75(71,73)74/h4-6,8-9H,2-3,7,10-12H2,1H3
InChiKey: InChIKey=HNCPPCRVHRTKBD-UHFFFAOYSA-N

Property

Comments: APPLICATION: N-TYPE ORGANIC ELECTRON TRANSFERRING MATERIALS
DESCRIPTION: FUNCTIONALIZED FULLERENE
PROTOCOLS AND APPLICATIONS: FULLERENES FOR PHOTOVOLTAICS AND BIOSCIENCE APPLICATIONS
STORAGE TEMPERATURE: 2-8 DEG C
UNSPSC: 12352300
WGK: 3

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305 + P351 + P338
hazard symbol: Xi
Risk Code: R:36/37/38
Safe Code: S:26
WGK Germany: 3

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