Ethyl 2,4-Dichloro-5-pyrimidinecarboxylate - CAS 51940-64-8

Catalog:	BB027656
Product Name:	Ethyl 2,4-Dichloro-5-pyrimidinecarboxylate
CAS:	51940-64-8
Synonyms:	2,4-dichloro-5-pyrimidinecarboxylic acid ethyl ester; ethyl 2,4-dichloropyrimidine-5-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2,4-dichloropyrimidine-5-carboxylate
Description:	Ethyl 2,4-Dichloro-5-pyrimidinecarboxylate (CAS# 51940-64-8) is a useful research chemical.
Molecular Weight:	221.04
Molecular Formula:	C7H6Cl2N2O2
Canonical SMILES:	CCOC(=O)C1=CN=C(N=C1Cl)Cl
InChI:	InChI=1S/C7H6Cl2N2O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3
InChI Key:	SRJBDGLSCPDXBL-UHFFFAOYSA-N
Boiling Point:	311.9 °C at 760 mmHg
Density:	1.433 g/cm³
MDL:	MFCD09910281
LogP:	1.96010

Publication Number	Title	Priority Date
CN-112110863-A	Sulfonyl fluoride compound, preparation method thereof and method for preparing sulfonamide compound through sulfonyl fluoride compound	20200827
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CN-111393447-B	Pyrimidopyrazole compound, and preparation method and application thereof	20200514
WO-2021209055-A1	Imidazolinone derivative and use thereof in medicine	20200417

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Related Functional Groups

Carbonyl Compounds

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.9806328
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.9806328
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3