2-bromo-4-ethynyl-1,3,5-trimethyl-benzene

Modify Date: 2026-08-14 11:39:55

2-bromo-4-ethynyl-1,3,5-trimethyl-benzene Structure
2-bromo-4-ethynyl-1,3,5-trimethyl-benzene structure
Common Name 2-bromo-4-ethynyl-1,3,5-trimethyl-benzene
CAS Number 5471-85-2 Molecular Weight 223.10900
Density 1.662g/cm3 Boiling Point 626.4ºC at 760 mmHg
Molecular Formula C11H11Br Melting Point N/A
MSDS N/A Flash Point 332.7ºC

 Names

Name 2-ethynyl-4-bromo-1,3,5-trimethyl-benzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.662g/cm3
Boiling Point 626.4ºC at 760 mmHg
Molecular Formula C11H11Br
Molecular Weight 223.10900
Flash Point 332.7ºC
Exact Mass 222.00400
LogP 3.35560
Index of Refraction 1.731
InChIKey YPDJIBQBPWUWFJ-UHFFFAOYSA-N
SMILES C#Cc1c(C)cc(C)c(Br)c1C

 Synthetic Route

~%

2-bromo-4-ethynyl-1,3,5-trimethyl-benzene Structure

2-bromo-4-ethyn...

CAS#:5471-85-2

Learn More
Literature: Adams; Theobald Journal of the American Chemical Society, 1943 , vol. 65, p. 2383,2385

~%

2-bromo-4-ethynyl-1,3,5-trimethyl-benzene Structure

2-bromo-4-ethyn...

CAS#:5471-85-2

Learn More
Literature: Adams; Theobald Journal of the American Chemical Society, 1943 , vol. 65, p. 2383,2385

~%

2-bromo-4-ethynyl-1,3,5-trimethyl-benzene Structure

2-bromo-4-ethyn...

CAS#:5471-85-2

Learn More
Literature: Adams; Theobald Journal of the American Chemical Society, 1943 , vol. 65, p. 2383,2385

~%

2-bromo-4-ethynyl-1,3,5-trimethyl-benzene Structure

2-bromo-4-ethyn...

CAS#:5471-85-2

Learn More
Literature: Adams; Theobald Journal of the American Chemical Society, 1943 , vol. 65, p. 2383,2385

 Bioassay

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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

2-Aethinyl-4,4,6-trimethyl-1,3,2-dioxaborinan
2-Aethinyl-4-brom-1,3,5-trimethyl-benzol
1,3,2-Dioxaborinane,2-ethynyl-4,4,6-trimethyl
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