Basic information
- CAS
116971-11-0- Standard SMILES
CCCCCCc1cc(Br)sc1Br- InChIKey
NSYFIAVPXHGRSH-UHFFFAOYSA-N- Molecular formula
- C10H14Br2S
- Average molar mass
- 326.09 g/mol
- Monoisotopic mass
- 323.9183
Names & identifiers
- Preferred name
- Thiophene, 2,5-dibromo-3-hexyl-
- IUPAC
- 2,5-dibromo-3-hexylthiophene
- English name
- 2,5-Dibromo-3-hexylthiophene
- Molecular formula
- C10H14Br2S
- Molecular weight
- 326.09
Names & synonyms
116971-11-0Thiophene, 2,5-dibromo-3-hexyl-DTXSID50888890RefChem:189605DTXCID7010281612,5-Dibromo-3-hexylthiopheneMFCD002743132,5-Dibromo-3-hex-1-ylthiopheneC10H14Br2S2,5-dibromo-3-hexyl-thiopheneBIDD:GT0290SCHEMBL197683
Show more names
M8061CAS:116971-11-02,5-Dibromo-3-hexyltDibroMo-3-hexylthiophThiophene,2,5-dibroMo-3-hexyl-2,5-Dibromo-3-hexylthiophene>2,5-Dibromo-3-hexylthiophene 97%2,5-Dibromo-3-hex-1-ylthiophene 98%2,5-Dibromo-3-hexylthiophene ISO 9001：2015 REACH
2,5-Dibromo-3-hexylthiophene, 97%CS-W009865FD14058SY035590AMY10866A2411FT-0600560Poly(3-hexylthiophene-2, 5-diyl)
Database identifiers
- CAS
116971-11-0- PubChem CID
- 3936632
- DTXSID
DTXSID50888890- EC Number
- 639-833-5
- Nikkaji
- J627.983J
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 317.2 · 317.2±37.0 °C(Predicted)
- Density
- 1.521 g/mL · 1.521 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.557(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- color
- Colorless to Yellow
- InChI
- 1S/C10H14Br2S/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h7H,2-6H2,1H3
- InChIKey
- NSYFIAVPXHGRSH-UHFFFAOYSA-N
- SMILES
- CCCCCCc1cc(Br)sc1Br
- CAS DataBase Reference
- 116971 · 116971-11-0(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Thiophene, 2,5-dibromo-3-hexyl- (116971-11-0)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
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
This chemical does not meet GHS hazard criteria for 97.4% (37 of 38) of all reports.
Not Classified
Aggregated GHS information provided per 38 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationThiophene, 2,5-dibromo-3-hexyl-: ACTIVE
Applications
UsesConducting polymer precursor.
General Description2,5-Dibromo-3-hexylthiophene is a 2,5 coupled conductive polymer with conjugated polythiophene based system, which has a controllable band gap.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
2 records
Compound notes
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