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5424-21-5 molecular structure
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5424-21-5 molecular structure
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2,4-dichloro-6-methylpyrimidine

ChemBase ID: 13665
Molecular Formular: C5H4Cl2N2
Molecular Mass: 163.00466
Monoisotopic Mass: 161.9751535
SMILES and InChIs

SMILES:
 n1c(nc(cc1C)Cl)Cl
Canonical SMILES:
 Cc1cc(Cl)nc(n1)Cl
InChI:
 InChI=1S/C5H4Cl2N2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3
InChIKey:
 BTLKROSJMNFSQZ-UHFFFAOYSA-N

Cite this record

CBID:13665 http://www.chembase.cn/molecule-13665.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichloro-6-methylpyrimidine
IUPAC Traditional name
2,4-dichloro-6-methylpyrimidine
Synonyms
6-Methyl-2,4-dichloropyrimidine
NSC 13199
2,4-Dichloro-6-methylpyrimidine
2,4-Dichloro-6-methylpyrimidine
2,4-二氯-6-甲基嘧啶
CAS Number
5424-21-5
EC Number
226-563-4
MDL Number
MFCD00006064
Beilstein Number
114295
PubChem SID
160976972
24848638
PubChem CID
79471

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 144185 external link Add to cart
ChemBridge 4045190 external link Add to cart
Alfa Aesar A10363 external link Add to cart
MP Biomedicals 05210124 external link Add to cart 02150870 external link Add to cart
Apollo Scientific OR8768 external link Add to cart
TRC D435505 external link Add to cart
Matrix Scientific 011105 external link Add to cart
Chemik CHH06000 external link Add to cart
Enamine EN300-26901 external link Add to cart
Bide Pharmatech BD7917
PubChem 79471 external link
Data Source Data ID Price
Sigma Aldrich
144185 external link Add to cart Please log in.
ChemBridge
4045190 external link Add to cart Please log in.
Alfa Aesar
A10363 external link Add to cart Please log in.
MP Biomedicals
05210124 external link Add to cart Please log in.
02150870 external link Add to cart Please log in.
Apollo Scientific
OR8768 external link Add to cart Please log in.
TRC
D435505 external link Add to cart Please log in.
Matrix Scientific
011105 external link Add to cart Please log in.
Chemik
CHH06000 external link Add to cart Please log in.
Enamine
EN300-26901 external link Add to cart Please log in.
Bide Pharmatech
BD7917 Please log in.
Data Source Data ID
PubChem 79471 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 2  H Donor 0 
LogD (pH = 5.5) 1.9138774  LogD (pH = 7.4) 1.9138778 
Log P 1.9138778  Molar Refractivity 38.6785 cm3
Polarizability 14.339428 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds 0  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ether expand Show data source
Ethyl Acetate expand Show data source
Toluene expand Show data source
Apperance
White to Light Yellow Powder expand Show data source
Melting Point
44 - 47°C expand Show data source
44-47 °C(lit.) expand Show data source
44-47°C expand Show data source
44-47°C expand Show data source
Boiling Point
218-220°C expand Show data source
219 °C(lit.) expand Show data source
219°C/760mm expand Show data source
219°C expand Show data source
Flash Point
>110°C expand Show data source
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Hydrophobicity(logP)
1.665 expand Show data source
Storage Condition
2-8°C expand Show data source
Storage Warning
CORROSIVE expand Show data source
Corrosive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
3263 expand Show data source
UN1759 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
34 expand Show data source
R:36 expand Show data source
Safety Statements
26-27-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
S:26 expand Show data source
TSCA Listed
true expand Show data source
是 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
H314-H318 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
P280-P305+P351+P338-P309-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3263 8/PG 2 expand Show data source
Purity
95% expand Show data source
98% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C5H4Cl2N2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05210124 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02150870 external link
Crystalline
Purity: 98%
Sigma Aldrich - 144185 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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