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Safety Information

427705

Sigma-Aldrich

3-(2-Chloroethyl)-2,4(1H,3H)-quinazolinedione

99%

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About This Item

Empirical Formula (Hill Notation):
C10H9ClN2O2
CAS Number:
5081-87-8
Molecular Weight:
224.64
EC Number:
225-795-3
MDL number:
MFCD00044732
UNSPSC Code:
12352100
PubChem Substance ID:
24866776
NACRES:
NA.22

Assay

99%

mp

195-197 °C (lit.)

SMILES string

ClCCN1C(=O)Nc2ccccc2C1=O

InChI

1S/C10H9ClN2O2/c11-5-6-13-9(14)7-3-1-2-4-8(7)12-10(13)15/h1-4H,5-6H2,(H,12,15)

InChI key

HWFSVCPXNLEACG-UHFFFAOYSA-N

General description

3-(2-Chloroethyl)-2,4(1H,3H)-quinazolinedione is a quinazolinedione derivative. It has been synthesized by reacting ethyl-2-aminobenzoate with ethyl chloroformate and ethanol amine.

Application

3-(2-Chloroethyl)-2,4(1H,3H)-quinazolinedione may be used in the synthesis of ketanserin .

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

427705-1G:
427705-5G:
427705-BULK:
427705-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MKBC7512V
MKBC7512
10318KG

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Reinvestigation of the Synthesis of Ketanserin (5) and its Hydrochloride Salt (5. HCl) via 3-(2-Chloroethyl)-2,4-(1H,3H)-quinazolinedione (2) or Dihydro-5H-oxazole (2,3-b) quinazolin-5-one (1).
Fakhraian H and Heydary M.
Journal of Heterocyclic Chemistry, 51(1), 151-156 (2014)

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