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Safety Information

457477

Sigma-Aldrich

1-Ethynyl-4-pentylbenzene

97%

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About This Item

Linear Formula:
CH3(CH2)4C6H4C≡CH
CAS Number:
79887-10-8
Molecular Weight:
172.27
MDL number:
MFCD00173884
UNSPSC Code:
12352100
PubChem Substance ID:
24869320
NACRES:
NA.22

Assay

97%

refractive index

n20/D 1.523 (lit.)

bp

172 °C (lit.)

density

0.885 g/mL at 25 °C (lit.)

SMILES string

CCCCCc1ccc(cc1)C#C

InChI

1S/C13H16/c1-3-5-6-7-13-10-8-12(4-2)9-11-13/h2,8-11H,3,5-7H2,1H3

InChI key

APGNXGIUUTWIRE-UHFFFAOYSA-N

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

217.4 °F - closed cup

Flash Point(C)

103.00 °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

457477-VAR:
457477-10G:
457477-1G:
457477-BULK:

Certificates of Analysis (COA)

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Berta Gómez-Lor et al.
Chemical communications (Cambridge, England), (48)(48), 5012-5014 (2006-12-06)
Discotic liquid crystals based on triindole, a novel redox active central core, have been synthesized and their mesomorphic behaviour investigated.
Synthesis and Study of the Thermal and Chiro-Optical Properties of Polyacetylenes with Bulky Side Groups: Poly (1-ethynyl-4-biphenyl), Poly (1-ethynyl-4-phenoxybenzene) and Poly (1-ethynyl-4-pentylbenzene).
Cataldo F, et al.
Journal of Macromolecular Science, Part A: Pure and Applied Chemistry, 46(9), 860-869 (2009)
Stable solution-processed high-mobility substituted pentacene semiconductors
Li, Y., Wu, Y., Liu, P., Prostran, Z., Gardner, S., & Ong, B. S.
Chemistry of Materials, 19(3), 418-423 (2007)
Srinivasarao Meneni et al.
Bioorganic & medicinal chemistry, 15(8), 3082-3088 (2007-03-06)
Starting with 5-iodo-2'-deoxyuridine, a series of 5-alkynyl-2'-deoxyuridines (with n-propyl, cyclopropyl, 1-hydroxycyclohexyl, p-tolyl, p-tert-butylphenyl, p-pentylphenyl, and trimethylsilyl alkyne substituents) have been synthesized via the palladium-catalyzed (Sonogashira) coupling reaction followed by a simplified isolation protocol (76-94% yield). The cytotoxic activity of modified

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