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348953

Sigma-Aldrich

Octyl cyanoacetate

99%

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About This Item

Linear Formula:
NCCH2CO2(CH2)7CH3
CAS Number:
15666-97-4
Molecular Weight:
197.27
MDL number:
MFCD00075425
UNSPSC Code:
12352100
PubChem Substance ID:
24861484
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.449 (lit.)

bp

95 °C/0.11 mmHg (lit.)

density

0.934 g/mL at 25 °C (lit.)

functional group

ester
nitrile

SMILES string

CCCCCCCCOC(=O)CC#N

InChI

1S/C11H19NO2/c1-2-3-4-5-6-7-10-14-11(13)8-9-12/h2-8,10H2,1H3

InChI key

MBCTWXWDQMXVDF-UHFFFAOYSA-N

Application

Octyl cyanoacetate may be used in the preparation of a small molecule with a dithienosilole core for the high efficiency solution-processed organic photovoltaic cells. It may be used in the preparation of small molecule DCAO3TBDT with the acceptor-donor-acceptor (A-D-A) structure and benzo[1,2-b:4,5-b′]dithiophene (BDT) as the central building block.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - 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)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBV6980V
MKBQ1668V
MKBL7221V
00723EJ
13507DS

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A planar small molecule with dithienosilole core for high efficiency solution-processed organic photovoltaic cells.
Zhou J, et al.
Chemistry of Materials, 23(21), 4666-4668 (2011)
Jiaoyan Zhou et al.
Journal of the American Chemical Society, 134(39), 16345-16351 (2012-09-20)
Small molecules, namely, DCAO(3)TBDT and DR(3)TBDT, with 2-ethylhexoxy substituted BDT as the central building block and octyl cyanoacetate and 3-ethylrhodanine as different terminal units with the same linkage of dioctyltertthiophene, have been designed and synthesized. The photovoltaic properties of these

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