2,4-Dichloro-5-cyanopyrimidine - CAS 3177-24-0

Name: 2,4-Dichloro-5-cyanopyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021053
Product Name:	2,4-Dichloro-5-cyanopyrimidine
CAS:	3177-24-0
Synonyms:	2,4-dichloro-5-pyrimidinecarbonitrile; 2,4-dichloropyrimidine-5-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,4-dichloropyrimidine-5-carbonitrile
Description:	2,4-Dichloro-5-cyanopyrimidine (CAS# 3177-24-0) is a useful research chemical.
Molecular Weight:	173.99
Molecular Formula:	C5HCl2N3
Canonical SMILES:	C1=C(C(=NC(=N1)Cl)Cl)C#N
InChI:	InChI=1S/C5HCl2N3/c6-4-3(1-8)2-9-5(7)10-4/h2H
InChI Key:	KMHSUNDEGHRBNV-UHFFFAOYSA-N
Boiling Point:	323.916 °C at 760 mmHg
Density:	1.607 g/cm³
MDL:	MFCD09746248
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
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[618-40-6]C7H10N2
1-Methyl-1-phenylhydrazine

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GHS Hazard Statement:	H301 (90.48%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-112592318-A	2- (4-methionyl) anilino-4-aminopyrimidine derivatives and application thereof	20201212
WO-2021163629-A1	Inhibitors of ulk1/2 and methods of using same	20200214
WO-2021138392-A1	Aminopyrimidine compounds	20191230
WO-2021104305-A1	Nitrogen-containing polycyclic derivative inhibitor, preparation method therefor and application thereof	20191126
US-2021047294-A1	Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors	20190814

Complexity:	164
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