348953

Octyl cyanoacetate

99%

• 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

Properties

• 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

Description

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.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332,H315,H319,H335
• pcodes: P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• 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: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter