2-Chloro-4,6-dimethylpyrimidine

HCID 20550CAS 4472-44-0
Substructure searchFind similar structures

Basic information

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

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Chemistry & industry

Applications

Uses2-Chloro-4,6-dimethylpyrimidine is a chlorinated pyrimidine with antiviral activity.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

90 records
New reaction record

Linked notes

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2-Chloro-4,6-dimethylpyrimidine (HCID 20550)｜Huagongshe