2,4-Dichloro-5,6-dimethylpyrimidine

HCID 241553

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Basic information

CAS: 1780-32-1
Standard SMILES: Cc1nc(Cl)nc(Cl)c1C
InChIKey: BFXIDUSEHNCLTP-UHFFFAOYSA-N
Molecular formula: C6H6Cl2N2
Average molar mass: 177.03 g/mol
Monoisotopic mass: 175.99080355

Names & identifiers

Preferred name: 2,4-Dichloro-5,6-dimethylpyrimidine
IUPAC: 2,4-dichloro-5,6-dimethylpyrimidine
English name: 2,4-Dichloro-5,6-dimethylpyrimidine
Molecular formula: C6H6Cl2N2
Molecular weight: 177.03

Names & synonyms

2,4-dichloro-5,6-dimethylpyrimidineDTXSID90287121RefChem:443277DTXCID40238269869-280-71780-32-1MFCD09910263Pyrimidine, 2,4-dichloro-5,6-dimethyl-2,4-dichloro-5,6-dimethyl-pyrimidineNSC49015SCHEMBL801870CHEMBL1989659

Show more names

2,4-Dichloro-5,6-dimethylpyrimidine ISO 9001：2015 REACH

5,6-dimethyl-2,4-dichloropyrimidineNSC-49015AKOS01592032724-Dichloro-56-dimethylpyrimidineCS-W006842SB57565DS-12522NCI60_004178

Database identifiers

CAS: 1780-32-1
PubChem CID: 241553
DTXSID: DTXSID90287121
ChEMBL: CHEMBL1989659
EC Number: 869-280-7

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 120

Physicochemical properties

Melting point: 70 · 70-71 °C(Solv: ethanol (64-17-5))
Boiling point: 245.3 · 245.3±35.0 °C(Predicted)
Density: 1.337 · 1.337±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -1.72 · -1.72±0.39(Predicted)
Appearance: White to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.