4-Chloro-6-methylpyrimidine - CAS 3435-25-4

Catalog:	BB022082
Product Name:	4-Chloro-6-methylpyrimidine
CAS:	3435-25-4
Synonyms:	4-chloro-6-methylpyrimidine; 4-chloro-6-methylpyrimidine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-6-methylpyrimidine
Description:	4-Chloro-6-methylpyrimidine (CAS# 3435-25-4) is a useful research chemical.
Molecular Weight:	128.56
Molecular Formula:	C5H5ClN2
Canonical SMILES:	CC1=CC(=NC=N1)Cl
InChI:	InChI=1S/C5H5ClN2/c1-4-2-5(6)8-3-7-4/h2-3H,1H3
InChI Key:	MVAXKFAQKTWRAH-UHFFFAOYSA-N
Boiling Point:	195 °C
Density:	1.234 g/cm³
MDL:	MFCD02322991
LogP:	1.43840

Publication Number	Title	Priority Date
WO-2021126973-A1	Compounds modulating protein recruitment and/or degradation	20191217
WO-2021105481-A1	Novel compounds for treatment of diseases related to dux4 expression	20191129
EP-3789378-A1	Piperidines or piperidones substituted with urea and heteroaryl	20190906
WO-2020233785-A1	Solution, aerosol for use as a fertilizer additive, use of an aqueous solution and/or of an aerosol as an additive to a fertilizer and a related composition	20190520
WO-2020227101-A1	Kcnt1 inhibitors and methods of use	20190503

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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:	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