4,6-Dichloro-2,5-dimethylpyrimidine

HCID 237013CAS 1780-33-2

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1nc(Cl)c(C)c(Cl)n1
InChIKey: BXVKGWQEEXPBAW-UHFFFAOYSA-N
Molecular formula: C6H6Cl2N2
Average molar mass: 177.03 g/mol
Monoisotopic mass: 175.99080355

Names & identifiers

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

Names & synonyms

4,6-Dichloro-2,5-dimethylpyrimidineDTXSID90285006RefChem:507958DTXCID70236157813-208-91780-33-2Pyrimidine, 4,6-dichloro-2,5-dimethyl-4,6-Dichloro-2,5-Dimethyl PyrimidineMFCD09991674NSC402124,6-dichloro-2,5-dimethyl-pyrimidine2,5-dimethyl-4,6-dichloro-pyrimidine

Show more names

CPD1015-A24,6-Dichloro-2,5-dimethylpyrimidine 99%4,6-Dichloro-2,5-dimethyl Pyrimidine(Galapogos)4,6-Dichloro-2,5-Dimethyl Pyrimidine ISO 9001：2015 REACH

NCIMech_000181SCHEMBL275977CHEMBL1981461BXVKGWQEEXPBAW-UHFFFAOYSA-N46-Dichloro-25-dimethylpyrimidineCCG-35379EBC-47563NSC-40212

Database identifiers

CAS: 1780-33-2
PubChem CID: 237013
DTXSID: DTXSID90285006
ChEMBL: CHEMBL1981461
EC Number: 813-208-9

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: 108

Physicochemical properties

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: crystalline solid
color: White
InChI: InChI=1S/C6H6Cl2N2/c1-3-5(7)9-4(2)10-6(3)8/h1-2H3
InChIKey: BXVKGWQEEXPBAW-UHFFFAOYSA-N
SMILES: C1(C)=NC(Cl)=C(C)C(Cl)=N1
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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.