1,3-Dibromo-5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione - CAS 1231160-83-0
Catalog: |
BB005629 |
Product Name: |
1,3-Dibromo-5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione |
CAS: |
1231160-83-0 |
Synonyms: |
1,3-dibromo-5-(2-ethylhexyl)thieno[3,4-c]pyrrole-4,6-dione; 1,3-dibromo-5-(2-ethylhexyl)thieno[3,4-c]pyrrole-4,6-dione |
IUPAC Name: | 1,3-dibromo-5-(2-ethylhexyl)thieno[3,4-c]pyrrole-4,6-dione |
Description: | 1,3-Dibromo-5-(2-ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione can be used as a component of solution processed organic solar cells. |
Molecular Weight: | 423.16 |
Molecular Formula: | C14H17Br2NO2S |
Canonical SMILES: | CCCCC(CC)CN1C(=O)C2=C(SC(=C2C1=O)Br)Br |
InChI: | InChI=1S/C14H17Br2NO2S/c1-3-5-6-8(4-2)7-17-13(18)9-10(14(17)19)12(16)20-11(9)15/h8H,3-7H2,1-2H3 |
InChI Key: | AOZLCBYWDXFKCJ-UHFFFAOYSA-N |
LogP: | 5.02340 |
GHS Hazard Statement: | H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (97.44%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2018119780-A1 | Weak electron-donating building blocks, copolymers thereof and related devices | 20161228 |
WO-2018076247-A1 | A weak electron-donating building block, copolymers thereof and their preparation methods as well as their applications | 20161027 |
EP-3390496-A1 | Thiadiazolopyridine polymers, their synthesis and their use | 20151218 |
JP-2019502001-A | Thiadiazolopyridine polymers, their synthesis and their use | 20151218 |
US-2018371157-A1 | Thiadiazolopyridine polymers, their synthesis and their use | 20151218 |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 422.93263 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 420.93468 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 65.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.8 |
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