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245704

Butyl cyanoacetate

Name: Butyl cyanoacetate
Brand: ALDRICH

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About This Item

Linear Formula:

NCCH₂CO₂(CH₂)₃CH₃

CAS Number:

5459-58-5

Molecular Weight:

141.17

NACRES:

NA.22

PubChem Substance ID:

24854752

UNSPSC Code:

12352100

EC Number:

226-730-1

MDL number:

MFCD00001941

Assay:

95%

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Properties

assay

95%

refractive index

n20/D 1.425 (lit.)

bp

115 °C/15 mmHg (lit.)

density

0.993 g/mL at 25 °C (lit.)

functional group

ester, nitrile

SMILES string

CCCCOC(=O)CC#N

InChI

1S/C7H11NO2/c1-2-3-6-10-7(9)4-5-8/h2-4,6H2,1H3

InChI key

DJACTCNGCHPGOI-UHFFFAOYSA-N

Description

General description

tert-Butyl cyanoacetate undergoes alkylation with many substituted benzyl and heteroalyl alcohols to form the corressponding alpha-alkylated products.

wgk

WGK 3

pictograms

GHS07

signalword

Warning

hcodes

H312 + H332,H315,H319,H335

pcodes

P261 - P264 - P280 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

flash_point_f

188.6 °F - closed cup

flash_point_c

87 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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