Product Code
F841024
CAS
115383-22-7
C70 Fullerene
Details
Chemical Properties
Hazards
Transport
Product Code
F841024
CAS Number
115383-22-7
IUPAC
hexatriacontacyclo[6.6.55.0²,¹².0¹⁴,²¹.0¹³,²⁴.1³,⁶.0¹¹,²⁶.0⁵,⁵³.0⁴,¹⁶.0¹⁵,¹⁹.0¹⁸,⁴¹.0¹⁷,⁵².0²⁰,³⁹.0²²,³⁸.0⁴⁰,⁴⁴.0⁴²,⁵¹.0⁴³,⁴⁸.0⁵⁰,⁵⁴.0⁴⁹,⁵⁷.0⁴⁷,⁵⁹.0⁴⁶,⁶¹.0³⁷,⁴⁵.0⁶⁰,⁶⁵.0⁵⁸,⁶⁷.0⁵⁶,⁶⁸.0³⁰,⁶⁶.0³¹,⁶⁴.0³⁴,⁶³.0³⁶,⁶².0²³,³⁵.0²⁵,³³.0²⁷,³².0²⁹,⁶⁹.0⁹,²⁸.0⁷,⁵⁵.0¹⁰,⁷⁰]heptaconta-1,3(70),4,6,8(69),9,11,13,15(19),16,18(41),20,22,24,26,28,30,32,34,36,38,40(44),42,45,47,49,51,53,55,57,59,61,63,65,67-pentatriacontaene
Canonical Smiles
C12=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%20=C%21C%18=C%18C%22=C%23C(=C%18%16)C%16=C%15C%15=C%13C%13=C(C1=C1C%18=C%24C%25=C%26C%27=C(C%23=C%23C%16=C%15C(=C1%13)C%24=C%23%27)C1=C%22C%21=C%13C1=C%26C(=C5C%25=C3%18)C6=C%13C%20=C7C9=C%19C%11=C%17%14)C%12=C%10C2=C48
InChI
InChI=1S/C70/c1-2-22-5-6-24-13-14-26-11-9-23-4-3(21(1)51-52(22)54(24)55(26)53(23)51)33-31(1)61-35-7-8-27-15-16-29-19-20-30-18-17-28-12-10(25(7)56-57(27)59(29)60(30)58(28)56)37(35)63(33)65-36(4)40(9)67(44(17)42(12)65)69-46(11)47(14)70(50(20)49(18)69)68-43(13)39(6)66(45(16)48(19)68)64-34(5)32(2)62(61)38(8)41(15)64
InChI Key
ATLMFJTZZPOKLC-UHFFFAOYSA-N
MDL Number
MFCD31654066
EINECS Number
634-223-5
UNSPSC Code
12352100
SKU
F841024
Purity
97%
Molecular Weight
840.770
Logp
10.8241122953
State
Solid
Melting Point
>280°C
SDS Documents
Pictograms
GHS07: Harmful/Irritant
Signal Word
Warning
Hazard Statements
- H315 – Causes skin irritation.
- H319 – Causes serious eye irritation.
- H335 – May cause respiratory irritation.
Precautionary Phrases
- P261 – Avoid breathing dust/fume/gas/mist/vapours/spray.
- P264 – Wash hands thoroughly after handling.
- P270 – Do not eat, drink or smoke when using this product.
- P271 – Use only outdoors or in a well-ventilated area.
- P280 – Wear protective gloves/protective clothing and eye/face protection.
- P301+P312.1 – IF SWALLOWED: Call a doctor if you feel unwell.
- P301+P330+P331 – IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
- P302+P352 – IF ON SKIN: Wash with plenty of water and soap.
- P304+P340 – IF INHALED: Remove person to fresh air and keep comfortable for breathing.
- P305+P351+P338 – IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P308+P313 – IF exposed or concerned: Get medical advice/attention.
- P321 – Specific treatment (see Section 4 on this SDS).
- P362+P364 – Take off contaminated clothing and wash it before reuse.
- P403+P233 – Store in a well-ventilated place. Keep container tightly closed.
- P405 – Store locked up.
- P501 – Dispose of contents/container to hazardous waste disposal.
Shipping Name
Non Hazardous For Transport
