2-Chloro-4,6-dimethylpyrimidine
Basic information
- CAS
4472-44-0- Standard SMILES
Cc1cc(C)nc(Cl)n1- InChIKey
RZVPFDOTMFYQHR-UHFFFAOYSA-N- Molecular formula
- C6H7ClN2
- Average molar mass
- 142.58 g/mol
- Monoisotopic mass
- 142.0297759
Names & identifiers
- Preferred name
- 2-Chloro-4,6-dimethylpyrimidine
- IUPAC
- 2-chloro-4,6-dimethylpyrimidine
- English name
- 2-Chloro-4,6-dimethylpyrimidine
- Molecular formula
- C6H7ClN2
- Molecular weight
- 142.59
Names & synonyms
2-Chloro-4,6-dimethylpyrimidine4472-44-0PYRIMIDINE, 2-CHLORO-4,6-DIMETHYL-XWF9HK9FMS4,6-dimethyl-2-chloropyrimidineNSC 49016BRN 0110697DTXSID90196284NSC-490165-23-05-00401 (Beilstein Handbook Reference)RefChem:86215Pyrimidine, 2chloro4,6dimethyl
Show more names
AKOS BBS-00002114IFLAB-BB F2130-0005CHEMBRDG-BB 49003122-chloro-4,6-dimethyl-pyrimidin2-Chloro-3,5-dimethylpyrimidine2-Chloro-4,6-dimethyl-1,3-diazine
DTXCID00118775624-997-2RZVPFDOTMFYQHR-UHFFFAOYSA-N2-chloro-4,6-dimethyl-pyrimidineMFCD00023199UNII-XWF9HK9FMSAKOS000111361CS-W007770
Database identifiers
- CAS
4472-44-0- PubChem CID
- 20550
- DTXSID
DTXSID90196284- UNII
- XWF9HK9FMS
- EC Number
- 624-997-2
- Nikkaji
- J85.919B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87.1
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyrimidines
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 34 · 34-36
- Boiling point
- 212 °C · 212 °C
- Density
- 1 · 1,03g/cm
- refractive index
- 1 · 1,428
- Flash point
- 110 ℃ · 110℃
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- Methanol
- form
- Powder, Crystalline Powder or Low Melting Solid
- pka
- 0.09 · 0.09±0.30(Predicted)
- color
- White to yellow
- InChIKey
- RZVPFDOTMFYQHR-UHFFFAOYSA-N
- CAS DataBase Reference
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (82.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryCauses convulsions and muscle weakness in intraperitoneal lethal-dose studies of mice; [RTECS] An irritant; [Matrix Scientific MSDS] See Pyrimidine.
Hazard Classes and CategoriesAcute Tox. 4 (82.7%)
Toxicology
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Safety data
- rtecs
- UV8000000
- ridadr
- UN 2265
- hs_code
- 29335990
- risk_code
- 20/21/22-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-37
- hazard_class
- IRRITANT
Chemistry & industry
Applications
Uses2-Chloro-4,6-dimethylpyrimidine is a chlorinated pyrimidine with antiviral activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
90 records
Compound notes
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