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C88505

Cyanoacetic acid

Name: Cyanoacetic acid
Brand: ALDRICH

99%

Synonym(s):

2-Cyanoacetic acid, Cyanoethanoic acid, Malonic mononitrile, Monocyanoacetic acid

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About This Item

Linear Formula:

NCCH₂COOH

CAS Number:

372-09-8

Molecular Weight:

85.06

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24893110

EC Number:

206-743-9

Beilstein/REAXYS Number:

506325

MDL number:

MFCD00002677

Assay:

99%

Form:

crystals

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Properties

vapor pressure

0.1 mmHg ( 100 °C)

Quality Segment

100

assay

99%

form

crystals

bp

108 °C/0.15 mmHg (lit.)

mp

64-70 °C (lit.)

solubility

H₂O: 50 mg/mL, clear, colorless to very faintly yellow

functional group

nitrile

SMILES string

OC(=O)CC#N

InChI

1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)

InChI key

MLIREBYILWEBDM-UHFFFAOYSA-N

Description

Application

Cyanoacetic acid can be used as a reagent:

Along with acetic anhydride for cyanoacetylation of various pyrroles, indoles, and aniline derivatives. It can also be used in other reactions such as cyclizations, syntheses of coumarins and other heterocycles.
To prepare of key intermediate via Knoevenagel condensation in the total synthesis of 5-acetamido-substituted melatonin derivatives as MT3 receptor ligands.
In the synthesis of aminopyrrolinone derivatives by reacting Ugi adducts of cyanoacetic acid and aromatic aldehydes.

pictograms

GHS05,GHS07

signalword

Danger

hcodes

H302 + H332,H314

pcodes

P260 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B

supp_hazards

EUH031

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 1

flash_point_f

224.6 °F - closed cup

flash_point_c

107 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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