4,7-Bis(5-n-octyl-2-thienyl)-2,1,3-benzothiadiazole
Catalog Number
ACM1171974289
CAS
1171974-28-9
IUPAC Name
4,7-bis(5-octylthiophen-2-yl)-2,1,3-benzothiadiazole
Molecular Weight
524.84
Molecular Formula
C30H40N2S3
Product Information
Canonical SMILES
CCCCCCCCC1=CC=C(S1)C2=CC=C(C3=NSN=C23)C4=CC=C(S4)CCCCCCCC
Inchi
InChI=1S/C30H40N2S3/c1-3-5-7-9-11-13-15-23-17-21-27(33-23)25-19-20-26(30-29(25)31-35-32-30)28-22-18-24(34-28)16-14-12-10-8-6-4-2/h17-22H,3-16H2,1-2H3
InChIKey
CPPGJRXHRGQCHC-UHFFFAOYSA-N
Melting Point
357 °C
Purity
>98.0%(HPLC)
Appearance
Light yellow to Amber to Dark green powder to crystal
storage
Store under inert gas
Complexity
528
Condition To Avoid
Light Sensitive,Air Sensitive
Hazard Statements
H351 : Suspected of causing cancer.
Heavy Atom Count
35
MDL Number
MFCD00041955
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P202 : Do not handle until all safety precautions have been read and understood.P201 : Obtain special instructions before use.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P308 + P313 : IF exposed or concerned: Get medical advice/ attention.P405 : Store locked up.
Reaxys Registry Number
21159693
Rotatable Bond Count
16
Signal Word
Warning
Monoisotopic Mass
524.235363g/mol
Exact Mass
524.235363g/mol
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