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2,4-Dichloro-5-nitropyrimidine

2,4-Dichloro-5-nitropyrimidine - CAS 49845-33-2

Catalog:	BB026841
Product Name:	2,4-Dichloro-5-nitropyrimidine
CAS:	49845-33-2
Synonyms:	2,4-dichloro-5-nitropyrimidine

Technical Data

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Computed Properties

IUPAC Name:	2,4-dichloro-5-nitropyrimidine
Description:	2,4-Dichloro-5-nitropyrimidine (CAS# 49845-33-2) is a compound useful in organic synthesis.
Molecular Weight:	193.98
Molecular Formula:	C4HCl2N3O2
Canonical SMILES:	C1=C(C(=NC(=N1)Cl)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H
InChI Key:	INUSQTPGSHFGHM-UHFFFAOYSA-N
Boiling Point:	325.8 ℃ at 760 mmHg
Melting Point:	28-32 ℃
Purity:	95 %
Density:	1.737 g/cm³
Appearance:	Yellow solid
Storage:	Keep under Argon
MDL:	MFCD00127867
LogP:	2.21480

Publication Number	Title	Priority Date
CN-113087708-A	Pteridinone compound and application thereof	20210406
CN-112939979-A	2-morpholine purine derivative, preparation method thereof and application thereof in antitumor drugs	20210206
CN-112592318-A	2- (4-methionyl) anilino-4-aminopyrimidine derivatives and application thereof	20201212
CN-112110863-A	Sulfonyl fluoride compound, preparation method thereof and method for preparing sulfonamide compound through sulfonyl fluoride compound	20200827
CN-111732590-A	2, 9-disubstituted purine derivative, preparation method thereof and application thereof in antitumor drugs	20200805

PMID	Publication Date	Title	Journal
17028580	20061101	Probing cell-division phenotype space and Polo-like kinase function using small molecules	Nature chemical biology

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.9445817
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.9445817
Rotatable Bond Count:	0
Topological Polar Surface Area:	71.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2