Cas no 827343-08-8 (2-Bromo-3-hexadecylthiophene)

2-Bromo-3-hexadecylthiophene is a brominated thiophene derivative featuring a long hexadecyl (C16) alkyl chain at the 3-position. This compound is primarily utilized as a key intermediate in organic synthesis, particularly in the development of conjugated polymers and organic semiconductors. The bromine substituent enhances reactivity for cross-coupling reactions, such as Suzuki or Stille couplings, enabling precise structural modifications. The hexadecyl chain improves solubility in organic solvents, facilitating processing in thin-film applications. Its structural properties make it valuable for designing materials with tailored electronic and optoelectronic characteristics, including organic field-effect transistors (OFETs) and photovoltaic devices. The compound’s stability and synthetic versatility underscore its utility in advanced material research.

2-Bromo-3-hexadecylthiophene structure

Product Name:2-Bromo-3-hexadecylthiophene

CAS No:827343-08-8

MF:C₂₀H₃₅BrS

MW:387.460904359818

MDL:MFCD30742896

CID:684361

PubChem ID:354334976

Update Time:2025-10-29

2-Bromo-3-hexadecylthiophene Chemical and Physical Properties

Names and Identifiers

- Thiophene, 2-bromo-3-hexadecyl-
- 2-bromo-3-hexadecylthiophene
- MFCD30742896
- DTXSID50740247
- T71367
- SCHEMBL5147986
- B5409
- 827343-08-8
- 2-Bromo-3-hexadecylthiophene
- MDL： MFCD30742896
- Inchi： 1S/C20H35BrS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18-22-20(19)21/h17-18H,2-16H2,1H3
- InChI Key： GOHORSZVGYZIGO-UHFFFAOYSA-N
- SMILES： BrC1=C(C=CS1)CCCCCCCCCCCCCCCC

Computed Properties

Exact Mass: 386.16428g/mol
Monoisotopic Mass: 386.16428g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 22
Rotatable Bond Count: 15
Complexity: 232
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 11
Topological Polar Surface Area: 28.2?2

2-Bromo-3-hexadecylthiophene Security Information

Signal Word：warning
Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
Warning Statement： P264+P280+P305+P351+P338+P337+P313
Safety Instruction： H303+H313+H333
Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

2-Bromo-3-hexadecylthiophene Pricemore >>

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SHANG HAI XIAN DING Biotechnology Co., Ltd.	B5409-1g	2-Bromo-3-hexadecylthiophene	827343-08-8	96.0%(GC)	1g	￥1290.0	2022-06-09
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	B869185-200mg	2-Bromo-3-hexadecylthiophene	827343-08-8	96%	200mg	680.00	2021-05-17
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TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd.	B5409-1G	2-Bromo-3-hexadecylthiophene	827343-08-8	>96.0%(GC)	1g	￥1105.00	2024-04-15
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Chemenu	CM394806-1g	2-Bromo-3-hexadecylthiophene	827343-08-8	95%+	1g	$300	2023-01-18
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