2,4-Dichloro-5-(methylsulfanyl)pyrimidine - CAS 7401-98-1

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

Catalog:	BB044619
Product Name:	2,4-Dichloro-5-(methylsulfanyl)pyrimidine
CAS:	7401-98-1
Synonyms:	2,4-dichloro-5-(methylthio)pyrimidine; Pyrimidine, 2,4-dichloro-5-(methylthio)-; NSC54668

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2,4-dichloro-5-methylsulfanylpyrimidine
Description:	2,4-Dichloro-5-(methylsulfanyl)pyrimidine (CAS# 7401-98-1 ) is a useful research chemical.
Molecular Weight:	195.07
Molecular Formula:	C5H4Cl2N2S
Canonical SMILES:	CSC1=CN=C(N=C1Cl)Cl
InChI:	InChI=1S/C5H4Cl2N2S/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3
InChI Key:	PQLHCTKAQZYUMI-UHFFFAOYSA-N
Boiling Point:	282.7±25.0 °C (Predicted)
Purity:	≥ 95 %
Density:	1.51±0.1 g/cm³ (Predicted)

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Related Functional Groups

Halides

[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[932890-93-2]C16H17Cl2NO2
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[56517-33-0]C11H13BrO3
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde

Other Pyrimidines

[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene
[860790-29-0]C11H15F3N4
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine

Sulfur Compounds

[6633-90-5]C8H18O4S2
1,4-Butanedithiol diacetate
[85-47-2]C10H8O3S
1-Naphthalenesulfonic acid
[71996-48-0]C14H14O2S
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[832739-83-0]C13H12ClNO3S
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]C12H8ClNO5S
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[874-87-3]C8H9ClS
4-(Methylthio)benzyl chloride

GHS Hazard Statement:	H302 (67.24%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (32.76%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (32.76%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (67.24%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H319 (32.76%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501
Signal Word:	Danger

Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.9472247
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	193.9472247
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6