4,6-Dichloro-2-(methylthio)pyrimidine (HCID 80531)

Names & identifiers

Preferred name: 4,6-Dichloro-2-(methylthio)pyrimidine
IUPAC: 4,6-dichloro-2-methylsulfanylpyrimidine
English name: 4,6-Dichloro-2-(methylthio)pyrimidine
Molecular formula: C5H4Cl2N2S
Molecular weight: 195.07

Names & synonyms

4,6-Dichloro-2-(methylthio)pyrimidine6299-25-84,6-Dichloro-2-methylmercaptopyrimidine4,6-Dichloro-2-methylsulfanyl-pyrimidine4,6-Dichloropyrimidine methyl sulphide2Q28U6BR6ANSC-44560DTXSID10212197NSC 44560RefChem:96620DTXCID10134688FCMLONIWOAGZJX-UHFFFAOYSA-N

Show more names

4,6-Dichloro-2-(meth4,6-DICHLORO-2-(METHYLTHIO)-Dichloro-2-(Methylthio)pyriM4,6-Dichloro-2-(Methylthio)Pyr4,6-Dichloro-2-Methythiopyrimidine6-Dichloro-2-(Methylthio)pyriMidine

4,6-Dichloro-2-methylthiopyrimidine4,6-Dichloro-2-(methylsulfanyl)pyrimidinePyrimidine, 4,6-dichloro-2-(methylthio)-4,6-dichloro-2-methylsulfanylpyrimidine2-Methylthio-4,6-dichloropyrimidineMFCD0000608646-Dichloro-2-(methylthio)pyrimidine4,6-Dichloro-2-Methylthio Pyrimidine

Database identifiers

CAS: 6299-25-8
PubChem CID: 80531
DTXSID: DTXSID10212197
UNII: 2Q28U6BR6A
EC Number: 228-577-6
Nikkaji: J206.869I

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 51.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 104

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 38 · 38-42 °C(lit.)
Boiling point: 135 · 135-136 °C14 mm Hg(lit.)
Density: 1.502 · 1.502 (estimate)
refractive index: 1.63 · 1.6300 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: Chloroform, Dichloromethane, Ethyl Acetate
pka: -4.86 · -4.86±0.30(Predicted)
form: Powder or Crystals
color: White to yellow or orange
BRN: 127664 · 127664
InChI: 1S/C5H4Cl2N2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3
InChIKey: FCMLONIWOAGZJX-UHFFFAOYSA-N
SMILES: CSc1nc(Cl)cc(Cl)n1
CAS DataBase Reference: 6299 · 6299-25-8(CAS DataBase Reference)
FDA UNII: 2 Q28U6BR6A · 2Q28U6BR6A
NIST Chemistry Reference: 4 · Pyrimidine, 4,6-dichloro-2-(methylthio)-(6299-25-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 260 · P260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34-36/37
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3263 · UN 3263 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-19
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29335990 · 29335990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1BSTOT SE 3
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (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 information

Hazard Classes and CategoriesMet. Corr. 1 (36.4%)

Safety data

F: 10-19
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3263 8/PG 2
hs_code: 29335990
risk_code: 34-36/37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
target organs: Respiratory system
Hazard statements: H314-H335
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
Precautionary statements: P260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338