CAS 6320-15-6 4-Chloro-2,6-dimethoxypyrimidine (HCID 80600)

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Basic information

CAS: 6320-15-6
Standard SMILES: COc1cc(Cl)nc(OC)n1
InChIKey: JHNRTJRDRWKAIW-UHFFFAOYSA-N
Molecular formula: C6H7ClN2O2
Average molar mass: 174.58 g/mol
Monoisotopic mass: 174.01960514

Names & identifiers

Preferred name: 4-Chloro-2,6-dimethoxypyrimidine
IUPAC: 4-chloro-2,6-dimethoxypyrimidine
English name: 6-CHLORO-2,4-DIMETHOXYPYRIMIDINE
Molecular formula: C6H7ClN2O2
Molecular weight: 174.59

Names & synonyms

4-Chloro-2,6-dimethoxypyrimidine6320-15-66-Chloro-2,4-dimethoxypyrimidinePyrimidine, 4-chloro-2,6-dimethoxy-EINECS 228-669-6NSC 317964-Chlor-2,6-dimethoxypyrimidinDTXSID60212561RefChem:98323DTXCID90135052228-669-6JHNRTJRDRWKAIW-UHFFFAOYSA-N

Show more names

AURORA KA-49164-diMethoxy pyriMidine6-chloro-2, 4-methoxypyrimidine6-chloro-2,4-dimethixypyrimidine

2,4-Dimethoxy-6-chloropyrimidineMFCD000060684-chloro-2,6-dimethoxy-pyrimidine2,6-dimethoxy-4-chloropyrimidine2,4-Dimethoxy-6-chloropyrimidine; 2,6-Dimethoxypyrimidin-4-yl chloride; 6-Chloro-2,4-dimethoxypyrimidine; NSC 31796NSC31796SCHEMBL105629SCHEMBL7688147

Database identifiers

CAS: 6320-15-6
PubChem CID: 80600
DTXSID: DTXSID60212561
EC Number: 228-669-6
Nikkaji: J149.396E

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 44.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 125

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 74 · 74-76 °C(lit.)
Boiling point: 280.6 · 280.6±43.0 °C(Predicted)
Density: 1.285 · 1.285±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Soluble in chloroform, ethyl acetate and methanol.
form: Solid
pka: -1.92 · -1.92±0.30(Predicted)
color: White
Sensitive: Hygroscopic
BRN: 137581 · 137581
InChI: InChI=1S/C6H7ClN2O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3
InChIKey: JHNRTJRDRWKAIW-UHFFFAOYSA-N
SMILES: C1(OC)=NC(OC)=CC(Cl)=N1

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29335995
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 2 items

Description6-Chloro-2,4-dimethoxypyrimidine serves as a key intermediate in pharmaceuticals, pesticides and fine chemical engineering. It is commonly used in the synthesis of sulfonylurea herbicides , and also applied to the preparation of pyrimidine ring-containing pharmaceutically active molecules. In addition, it acts as a heterocyclic building block to participate in the construction of pyrimidine derivatives, which is suitable for the research, development and production of functional molecules in organic synthesis and materials chemistry.

UsesIt is used in the synthesis of silyl and stannyl pyrimidines.