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Safety Information

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

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

213.8 °F - closed cup

Flash Point(C)

101 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

521086-25G:
521086-VAR:
521086-BULK:
521086-5G:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCS3764
MKBZ5883V
MKBV8520V
MKBD3922
05208JD

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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)

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