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238627

Ethyl isocyanatoacetate

Name: Ethyl isocyanatoacetate
Brand: ALDRICH

95%

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About This Item

Linear Formula:

OCNCH₂COOCH₂CH₃

CAS Number:

2949-22-6

Molecular Weight:

129.11

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24854337

EC Number:

220-967-4

Beilstein/REAXYS Number:

970503

MDL number:

MFCD00002040

Assay:

95%

Form:

liquid

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Properties

Quality Level

200

assay

95%

form

liquid

impurities

<5% N-(chloroformyl)glycine ethyl ester

refractive index

n20/D 1.422 (lit.)

bp

67-68 °C/11 mmHg (lit.)

density

1.151 g/mL at 25 °C (lit.)

functional group

amine, ester, isocyanate

SMILES string

CCOC(=O)CN=C=O

InChI

1S/C5H7NO3/c1-2-9-5(8)3-6-4-7/h2-3H2,1H3

InChI key

DUVOZUPPHBRJJO-UHFFFAOYSA-N

Description

Application

Ethyl isocyanatoacetate has been used in the preparation of:

6-(carboxymethylureido)-(±)-nicotine (CMUNic), nicotine immunogen
ethyl 8-carbamoyl-4-oxo-3,4-dihydroimidazo[5,1-d]-1,2,3,5-tetrazin-3-ylacetate
imidazo[1,2-c]-quinazoline-2,5-(3H,6H)dione

pictograms

GHS08,GHS07

signalword

Danger

hcodes

H302,H315,H317,H319,H334,H335

pcodes

P261 - P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

161.6 °F - closed cup

flash_point_c

72 °C - closed cup

ppe

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

Regulatory Information

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Antitumour imidazotetrazines. Part 33. New syntheses of the antitumour drug temozolomide using 'masked'methyl isocyanates.

Malcolm FG.

Journal of the Chemical Society. Perkin Transactions 1, 21, 2783-2787 (1995)

A Facile Synthesis of Imidazo [1, 2-c] quinazoline-2, 5-(3H, 6H) dione.

Papadopoulos EP.

Journal of Heterocyclic Chemistry, 18(3), 515-518 (1981)

Active immunization alters the plasma nicotine concentration in rats.

Y Hieda et al.

The Journal of pharmacology and experimental therapeutics, 283(3), 1076-1081 (1998-02-12)

The ability of active immunization to alter nicotine distribution was studied in rats. Animals were immunized with 6-(carboxymethylureido)-(+/-)-nicotine (CMUNic) linked to keyhole limpet hemocyanin (KLH). Antibody titers determined by ELISA, using CMUNic coupled to albumin as the coating antigen, were

Global Trade Item Number

SKU	GTIN
238627-10G	04061836818319
238627-5G	04061836818326
238627-50G	04061836825959