4,5-Dichloropyrimidine - CAS 6554-61-6

Catalog:	BB032765
Product Name:	4,5-Dichloropyrimidine
CAS:	6554-61-6
Synonyms:	4,5-dichloropyrimidine; 4,5-dichloropyrimidine

Technical Data

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Computed Properties

IUPAC Name:	4,5-dichloropyrimidine
Description:	4,5-Dichloropyrimidine (CAS# 6554-61-6) is a useful research chemical.
Molecular Weight:	148.98
Molecular Formula:	C4H2Cl2N2
Canonical SMILES:	C1=C(C(=NC=N1)Cl)Cl
InChI:	InChI=1S/C4H2Cl2N2/c5-3-1-7-2-8-4(3)6/h1-2H
InChI Key:	NHTURKUJYDHMIQ-UHFFFAOYSA-N
Boiling Point:	219.727 °C at 760 mmHg
Density:	1.493 g/cm³
Appearance:	Liquid
MDL:	MFCD09743880
LogP:	1.78340

Publication Number	Title	Priority Date
CN-112851587-A	Alkyne heterocyclic compound for treating cancer and preparation method and application thereof	20210121
WO-2021102393-A1	Process for the synthesis of (3-chloro-2-pyridyl)hydrazine	20191122
WO-2021076831-A1	Methods for the preparation of 5-bromo-2-(3-chloro-pyridin-2-yl)-2h-pyrazole-3-carboxylic acid	20191018
WO-2021076832-A1	Methods for the preparation of 5-bromo-2-(3-chloro-pyridin-2-yl)-2h-pyrazole-3-carboxylic acid	20191018
WO-2021076835-A1	Methods for the preparation of 5-bromo-2-(3chloro-pyridin-2-yl)-2h-pyrazole-3-carboxylic acid	20191018

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	78.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.9595035
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	147.9595035
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8