4-Chloro-5-methylpyrimidine - CAS 51957-32-5

Catalog:	BB027661
Product Name:	4-Chloro-5-methylpyrimidine
CAS:	51957-32-5
Synonyms:	4-chloro-5-methylpyrimidine; 4-chloro-5-methylpyrimidine

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-5-methylpyrimidine
Description:	4-Chloro-5-methylpyrimidine (CAS# 51957-32-5) is a useful research chemical compound.
Molecular Weight:	128.56
Molecular Formula:	C5H5ClN2
Canonical SMILES:	CC1=CN=CN=C1Cl
InChI:	InChI=1S/C5H5ClN2/c1-4-2-7-3-8-5(4)6/h2-3H,1H3
InChI Key:	RPDVPWWBNQKLAS-UHFFFAOYSA-N
Boiling Point:	195.2 °C at 760 mmHg
Density:	1.234 g/cm³
MDL:	MFCD08236809
LogP:	1.43840

Publication Number	Title	Priority Date
WO-2021154902-A1	Collagen 1 translation inhibitors and methods of use thereof	20200130
WO-2021097039-A1	Triazole carbamate pyridyl sulfonamides as lpa receptor antagonists and uses thereof	20191115
WO-2021032033-A1	Pyridazinol compound, derivative thereof, preparation method therefor, herbicidal composition and use thereof	20190816
EP-3772513-A1	Shp2 inhibitors	20190809
WO-2021028362-A1	Shp2 inhibitors	20190809

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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

Complexity:	76.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.0141259
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	128.0141259
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5