Basic information
- CAS
162151-09-9- Standard SMILES
CCCCCCCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sccc3CCCCCCCCCCCC)s2)s1- InChIKey
DZUNDTRLGXGTGU-UHFFFAOYSA-N- Molecular formula
- C40H58S4
- Average molar mass
- 667.2 g/mol
- Monoisotopic mass
- 666.34213654
Names & identifiers
- Preferred name
- 3,3'''-Didodecyl-2,2':5',2'':5'',2'''-quaterthiophene
- IUPAC
- 2-(3-dodecylthiophen-2-yl)-5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophene
- English name
- 5,5μ-Bis(3-dodecyl-2-thienyl)-2,2μ-bithiophene
- Molecular formula
- C40H58S4
- Molecular weight
- 667.15
Names & synonyms
3,3'''-didodecyl-2,2':5',2'':5'',2'''-quaterthiopheneRefChem:484822634-056-8162151-09-9NSC686347SCHEMBL858245,5mu-Bis(3-dodecyl-2-thienyl)-2,2mu-bithiophene2-(3-dodecylthiophen-2-yl)-5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiopheneMFCD105670152,2':5',2'':5'',2'''-Quaterthiophene, 3,3'''-didodecyl-3-DODECYL-5'-{3'-DODECYL-[2,2'-BITHIOPHEN]-5-YL}-2,2'-BITHIOPHENE3,3'''-Didodecyl-2,2':5',2'':5'',2'''quaterthiophene
Show more names
5,5μ-Bis(3-dodecyl-2-thienyl)-2,2μ-bithiophene3,3μμμ-Didodecyl-2,2μ:5μ,2μμ:5μμ,2μμμ-quaterthiophene3,3'''-Didodecyl-2,2':5',2'':5'',2'''?quaterthiophene3,3'''-Didodecyl-2,2':5',2'':5'',2'''-quaterthiophene 97%
2-(3-dodecyl-2-thienyl)-5-[5-(3-dodecyl-2-thienyl)-2-thienyl]thiopheneDZUNDTRLGXGTGU-UHFFFAOYSA-NCHEMBL1971589DTXSID20327781NSC-686347682763-35-5NCI60_031076SY454741
Properties
Computed structural properties
- XLogP
- 18.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 25
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 641
Physicochemical properties
- Melting point
- 55 · 55-59 °C
- Boiling point
- 710.3 · 710.3±60.0 °C(Predicted)
- Density
- 1.044 · 1.044±0.06 g/cm3(Predicted)
- form
- solid
- InChIKey
- DZUNDTRLGXGTGU-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCc1ccsc1-c2ccc(s2)-c3ccc(s3)-c4sccc4CCCCCCCCCCCC
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesSemiconducting oligomer (p-type), also used as monomer to prepare poly(3,3′′′-dialkyl-quaterthiophene) polymers (PQTs).
Upstream & downstream products
Upstream raw materials
Suppliers11 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
深圳睿迅光电材料科技有限公司0755-26718755; 15889762949 · [email protected]
Aladdin Scientific[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
宁波智锐新材料有限公司0574-87487840-805 15888368997
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…