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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 80531Generated: October 23, 2026

4,6-Dichloro-2-(methylthio)pyrimidine

Pyrimidine, 4,6-dichloro-2-(methylthio)- · 4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE · NSC 44560 · 4,6-Dichloro-2-(meth · 4,6-DICHLORO-2-(METHYLTHIO)- · Dichloro-2-(Methylthio)pyriM · 4,6-Dichloro-2-(Methylthio)Pyr · 4,6-Dichloro-2-Methythiopyrimidine

https://huagongshe.com/en/chemical/80531

4,6-Dichloro-2-(methylthio)pyrimidine molecular structure

Identifiers & Physical Properties

CAS No.6299-25-8
Molecular formulaC5H4Cl2N2S
Average molar mass195.07 g/mol
Monoisotopic mass193.94722449 g/mol
SMILESCSc1nc(Cl)cc(Cl)n1
InChIKeyFCMLONIWOAGZJX-UHFFFAOYSA-N
PubChem CID80531
EC No.228-577-6
DTXSIDDTXSID10212197

Chemical & Physical Properties

XLogP3
Topological polar surface area51.1
Hydrogen bond donors0
Hydrogen bond acceptors3
Rotatable bonds1
Heavy atoms10
Formal charge0
Complexity104
SpringerMaterials PropertiesChemical shift
Melting point38-42 °C(lit.)
Boiling point135-136 °C14 mm Hg(lit.)
Density1.502 (estimate)
Refractive index1.6300 (estimate)
Flash point>230 °F
Storage conditionsInert atmosphere,2-8°C
SolubilityChloroform, Dichloromethane, Ethyl Acetate
pKa (acidity coefficient)-4.86±0.30(Predicted)
Physical statePowder or Crystals
ColorWhite to yellow or orange
BRN127664
InChI1S/C5H4Cl2N2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3
InChIKeyFCMLONIWOAGZJX-UHFFFAOYSA-N
SMILESCSc1nc(Cl)cc(Cl)n1
CAS DataBase Reference6299-25-8(CAS DataBase Reference)
FDA UNII2Q28U6BR6A
NIST Chemistry ReferencePyrimidine, 4,6-dichloro-2-(methylthio)-(6299-25-8)
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS05,GHS07
Signal wordDanger
GHS hazard statementsH314-H335
GHS precautionary statementsP260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Target organsRespiratory system
Personal protective equipment (PPE)Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard symbolsC
Risk statements (R)34-36/37
Safety statements (S)26-36/37/39-45
UN transport numberUN 3263 8/PG 2
Water hazard class (WGK)3
F10-19
Hazard class8Eye Dam. 1Skin Corr. 1BSTOT SE 3
Packing groupIII
Customs code29335990
Storage class8A - Combustible corrosive hazardous materials
Limited quantities1 Kg (2.2 lbs) (solid)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & Regulations

GHS classificationDangerH290 (36.4%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P362+P364, P363, P390, P391, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 77 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesMet. Corr. 1 (36.4%)
F10-19
Personal protective equipment (PPE)Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Water hazard class (WGK)3
UN transport numberUN 3263 8/PG 2
Customs code29335990
Risk statements (R)34-36/37
Signal wordDanger
GHS pictogramGHS05,GHS07
Hazard symbolsC
Safety statements (S)26-36/37/39-45
Hazard class8Eye Dam. 1Skin Corr. 1BSTOT SE 3
Storage class8A - Combustible corrosive hazardous materials
Packing groupIII
Target organsRespiratory system
GHS hazard statementsH314-H335
Limited quantities1 Kg (2.2 lbs) (solid)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
GHS precautionary statementsP260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Applications & Uses

Uses

4,6-Dichloro-2-(methylthio)pyrimidine (cas# 6299-25-8) is a compound useful in organic synthesis.

General Description

4,6-Dichloro-2-(methylthio)pyrimidine reacts with (η5-C5H5)Fe(CO)2 to form monometallic and bimetallic complexes.