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4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde

4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde - CAS 14160-91-9

Catalog:	BB009202
Product Name:	4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde
CAS:	14160-91-9
Synonyms:	4,6-dichloro-2-methyl-5-pyrimidinecarboxaldehyde; 4,6-dichloro-2-methylpyrimidine-5-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,6-dichloro-2-methylpyrimidine-5-carbaldehyde
Description:	4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde (CAS# 14160-91-9) is a useful research chemical.
Molecular Weight:	191.01
Molecular Formula:	C6H4Cl2N2O
Canonical SMILES:	CC1=NC(=C(C(=N1)Cl)C=O)Cl
InChI:	InChI=1S/C6H4Cl2N2O/c1-3-9-5(7)4(2-11)6(8)10-3/h2H,1H3
InChI Key:	DOMBYPXLCGLBRD-UHFFFAOYSA-N
Boiling Point:	276.2 °C at 760 mmHg
Density:	1.495 g/cm³
Storage:	Inert atmosphere, Store in freezer, under -20 °C
LogP:	1.90430

Publication Number	Title	Priority Date
WO-2021063852-A1	Substituted pyrimidine for the treatment and prophylaxis of hepatitis b virus infection	20190930
WO-2020254451-A1	Anticancer combination therapy	20190619
WO-2020131597-A1	Pyrimidone derivatives as selective cytotoxic agents against hiv infected cells	20181218
CN-113423695-A	Pyrimidinone derivatives as selective cytotoxic agents against HIV infected cells	20181218
EP-3898595-A1	Pyrimidone derivatives as selective cytotoxic agents against hiv infected cells	20181218

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[4313-03-5]
2,4-Heptadienal

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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:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.9700681
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.9700681
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2