ChemicalBook--->CAS DataBase List--->15666-97-4

15666-97-4

15666-97-4 Structure

15666-97-4 Structure
IdentificationBack Directory
[Name]

Octyl cyanoacetate
[CAS]

15666-97-4
[Synonyms]

OCTYL CYANOACETATE
N-OCTYL CYANOACETATE
octyl 2-cyanoacetate
Octyl cyanoacetate 99%
n-Octyl cyanoacetate ,99%
n-Octyl cyanoacetate ,98%
n-Octyl cyanoacetate ,96%
2-cyanoacetic acid octyl ester
Acetic acid, 2-cyano-, octyl ester
ACETIC ACID, 2-CYANO-,OCTYL ESTER (CAS NO.15666-97-4)
[Molecular Formula]

C11H19NO2
[MDL Number]

MFCD00075425
[MOL File]

15666-97-4.mol
[Molecular Weight]

197.27
Chemical PropertiesBack Directory
[Boiling point ]

95 °C0.11 mm Hg(lit.)
[density ]

0.934 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.449(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[form ]

liquid
[pka]

3.11±0.10(Predicted)
[Appearance]

Colorless to off-white Liquid
[InChI]

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

MBCTWXWDQMXVDF-UHFFFAOYSA-N
[SMILES]

C(OCCCCCCCC)(=O)CC#N
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26-37/39
[RIDADR ]

2810
[WGK Germany ]

3
[HazardClass ]

6.(b)
[PackingGroup ]

III
[HS Code ]

29299090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

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.
Spectrum DetailBack Directory
[Spectrum Detail]

Octyl cyanoacetate(15666-97-4)1HNMR
Octyl cyanoacetate(15666-97-4)IR
Octyl cyanoacetate(15666-97-4)Raman
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