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6320-15-6 molecular structure
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4-chloro-2,6-dimethoxypyrimidine

ChemBase ID: 145927
Molecular Formular: C6H7ClN2O2
Molecular Mass: 174.58498
Monoisotopic Mass: 174.01960515
SMILES and InChIs

SMILES:
COc1cc(nc(n1)OC)Cl
Canonical SMILES:
COc1cc(Cl)nc(n1)OC
InChI:
InChI=1S/C6H7ClN2O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3
InChIKey:
JHNRTJRDRWKAIW-UHFFFAOYSA-N

Cite this record

CBID:145927 http://www.chembase.cn/molecule-145927.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2,6-dimethoxypyrimidine
IUPAC Traditional name
4-chloro-2,6-dimethoxypyrimidine
Synonyms
6-Chloro-2,4-dimethoxypyrimidine
2,4-Dimethoxy-6-chloropyrimidine
2,6-Dimethoxypyrimidin-4-yl chloride
6-Chloro-2,4-dimethoxypyrimidine
NSC 31796
4-Chloro-2,6-dimethoxypyrimidine
6-CHLORO-2,4-DIMETHOXYPYRIMIDINE
6-氯-2,4-二甲氧基嘧啶
6-氯-2,4-甲氧基嘧啶
CAS Number
6320-15-6
EC Number
228-669-6
MDL Number
MFCD00006068
Beilstein Number
137581
PubChem SID
24892632
162240127
PubChem CID
80600

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8318579  LogD (pH = 7.4) 1.8318583 
Log P 1.8318583  Molar Refractivity 41.7743 cm3
Polarizability 15.64886 Å3 Polar Surface Area 44.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
71-73°C expand Show data source
74-76 °C(lit.) expand Show data source
Storage Warning
Hygroscopic expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
98% expand Show data source
98+% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H7ClN2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - C36408 external link
Packaging
1, 5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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