4,6-Dichloropyrimidine-5-carbonitrile - CAS 5305-45-3

Name: 4,6-Dichloropyrimidine-5-carbonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028025
Product Name:	4,6-Dichloropyrimidine-5-carbonitrile
CAS:	5305-45-3
Synonyms:	4,6-dichloro-5-pyrimidinecarbonitrile; 4,6-dichloropyrimidine-5-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,6-dichloropyrimidine-5-carbonitrile
Description:	4,6-Dichloropyrimidine-5-carbonitrile (CAS# 5305-45-3) is a useful research chemical.
Molecular Weight:	173.99
Molecular Formula:	C5HCl2N3
Canonical SMILES:	C1=NC(=C(C(=N1)Cl)C#N)Cl
InChI:	InChI=1S/C5HCl2N3/c6-4-3(1-8)5(7)10-2-9-4/h2H
InChI Key:	IPEBKIMUIHKZJP-UHFFFAOYSA-N
Boiling Point:	335.2 °C at 760 mmHg
Density:	1.6 g/cm³
MDL:	MFCD08460393
LogP:	1.65508

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112851536-A	Method for constructing amide bond by clicking pyrimidine condensing agent and application of method in amide and polypeptide synthesis	20210104
WO-2021063852-A1	Substituted pyrimidine for the treatment and prophylaxis of hepatitis b virus infection	20190930
WO-2020234381-A1	Processes and intermediates for preparing a btk inhibitor	20190521
CN-109734674-A	Phenyl amines WDR5 protein-protein interaction inhibitor and its preparation method and purposes	20190226
WO-2020172932-A1	Aniline wdr5 protein-protein interaction inhibitor, preparation method therefor and use thereof	20190226

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.9547524
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.9547524
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8