Pyrimidine, 2,4-dichloro-5-methyl- (HCID 74508)

Names & identifiers

Preferred name: Pyrimidine, 2,4-dichloro-5-methyl-
IUPAC: 2,4-dichloro-5-methylpyrimidine
English name: 2,4-Dichloro-5-methylpyrimidine
Molecular formula: C5H4Cl2N2
Molecular weight: 163

Names & synonyms

2,4-Dichloro-5-methylpyrimidine1780-31-0Pyrimidine, 2,4-dichloro-5-methyl-5-Methyl-2,4-dichloropyrimidineEINECS 217-227-8NSC 37532DTXSID9061962RefChem:870923DTXCID0035661217-227-82,4-dichloro-5-methyl-pyrimidineMFCD00023197

Show more names

4-Dichloro-5-MethylpyriMidineToxic,stench2,4-Dichloro-5-2,4-Dichloro-5-methyDichloro-5-MethylpyriMid2,4-Dichloro-5-Methylpyri...2,4-dichloro-5-methyl-pyrimidin

2,4-dichloro-5-methyl pyrimidine2, 4-Dichloro-5-methylpyrimidineG2W3V2TE7SNSC-37532NSC37532UNII-G2W3V2TE7SSCHEMBL561922,4 dichloro5-methylpyrimidine

Database identifiers

CAS: 1780-31-0
PubChem CID: 74508
DTXSID: DTXSID9061962
UNII: G2W3V2TE7S
EC Number: 217-227-8
Nikkaji: J203.177I

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 99

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 26 · 26-28 °C (lit.)
Boiling point: 108 · 108-109 °C/11 mmHg (lit.)
Density: 1.39 g/mL · 1.39 g/mL at 25 °C (lit.)
refractive index: 1.63 · 1.6300 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: Soluble in chloroform, ether, ethyl acetate and toluene
form: powder to lump to clear liquid
pka: -2.44 · -2.44±0.29(Predicted)
color: White or Colorless to Almost white or Almost colorless
Sensitive: Lachrymatory
InChI: InChI=1S/C5H4Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3
InChIKey: DQXNTSXKIUZJJS-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(C)C(Cl)=N1
CAS DataBase Reference: 1780 · 1780-31-0(CAS DataBase Reference)
FDA UNII: 2 W3V2TE7S · G2W3V2TE7S
EPA Substance Registry System: 2 · Pyrimidine, 2,4-dichloro-5-methyl- (1780-31-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45-27
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29335990 · 29335990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
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

H314 (92.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (92.5%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29335990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45-27
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
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: Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPyrimidine, 2,4-dichloro-5-methyl-: ACTIVE

Applications · 1 item

Uses2,4-Dichloro-5-methylpyrimidine, is used in the synthesis of (2-chloro-6-methyl-pyrimidin-4-yl)-(2,3-dihydro-benzothiazol-6-yl)-amine. It can react with piperidineto produce 2-chloro-5-methyl-4-piperidin-1-yl-pyrimidine. This reaction will need solvent dioxane.