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521086

Sigma-Aldrich

1-Butyl-4-ethynylbenzene

95%

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About This Item

Linear Formula:
CH3(CH2)3C6H4C≡CH
CAS Number:
79887-09-5
Molecular Weight:
158.24
MDL number:
MFCD00173885
UNSPSC Code:
12352100
PubChem Substance ID:
24874186
NACRES:
NA.22

Quality Level

100

assay

95%

refractive index

n20/D 1.527 (lit.)

density

0.906 g/mL at 25 °C (lit.)

SMILES string

CCCCc1ccc(cc1)C#C

InChI

1S/C12H14/c1-3-5-6-12-9-7-11(4-2)8-10-12/h2,7-10H,3,5-6H2,1H3

InChI key

ZVWWYEHVIRMJIE-UHFFFAOYSA-N

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

213.8 °F - closed cup

flash_point_c

101 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKBZ5883V
MKBV8520V
MKBD3922
05208JD
13924CD

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Nadezhda Romanchikova et al.
Journal of enzyme inhibition and medicinal chemistry, 29(6), 765-772 (2013-11-20)
A novel matrix metalloproteinase-2 (MMP-2) inhibitor JaZ-30, which belongs to the class of C(2)-monosubstituted aziridine - aryl-1,2,3-triazole conjugates, was developed. MTT and crystal violet assays were used to determine cytotoxicity- IC(50) values of compound JaZ-30 on melanoma cell line B16
Synthesis and characterization of the multi-photon absorption and excited-state properties of a neat liquid 4-propyl 4'-butyl diphenyl acetylene
Khoo LC, et al.
Journal of Materials Chemistry, 19(40), 7525-7525 (2009)
Regioselective One-Pot Synthesis of Isocoumarins and Phthalides from 2-Iodobenzoic Acids and Alkynes by Temperature Control.
Kumar MR, et al.
Advanced Synthesis & Catalysis, 355(16), 3221-3230 (2013)

Articles

New Aromatic Terminal Alkynes

The terminal alkyne functionality has a wide range of applications including most recently the synthesis of spiropyran substituted 2,3-dicyanopyrazines and (±)-asteriscanolide, as well as conversion to enamines using resin-bound 2° amines.

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