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Molecule
ID:13665
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₅H₄Cl₂N₂
Molecular Mass
163.00466
Exact Mass
161.9751535
Charge
0
InChI
InChI=1S/C5H4Cl2N2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3
InChIKey
BTLKROSJMNFSQZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Cl)nc(n1)Cl
Isomeric Smiles
n1c(nc(cc1C)Cl)Cl
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
Polarizability
14.339428
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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Names and Identifiers
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Synonyms
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IUPAC name
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IUPAC Traditional name
Registration numbers
Properties
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Safety Information
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Physical Property
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR8768
Matrix Scientific
011105
MP Biomedicals
02150870
05210124
ChemBridge
4045190
Sigma Aldrich
144185
TRC
D435505
Chemik
CHH06000
Enamine
EN300-26901
Bide Pharmatech
BD7917
Alfa Aesar
A10363
Academic Data
PubChem
79471
Names and Identifiers
Synonyms
2,4-Dichloro-6-methylpyrimidine
6-Methyl-2,4-dichloropyrimidine
NSC 13199
2,4-二氯-6-甲基嘧啶
2,4-Dichloro-6-methylpyrimidine
IUPAC name
2,4-dichloro-6-methylpyrimidine
IUPAC Traditional name
2,4-dichloro-6-methylpyrimidine
Registration numbers
CAS Number
5424-21-5
PubChem SID
24848638
160976972
MDL Number
MFCD00006064
EC Number
226-563-4
Beilstein Number
114295
PubChem CID
79471
Molecule Details
MP Biomedicals
02150870
Crystalline
Purity: 98%
05210124
MP Biomedicals Rare Chemical collection
Sigma Aldrich
144185
Packaging
25, 100 g in glass bottle
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
PubChem SID
•
MDL Number
•
EC Number
•
Beilstein Number
•
PubChem CID
Properties
Safety Information
MSDS Link
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Source
CORROSIVE
Source
Corrosive
Source
true
Source
是
Source
2-8°C
Source
Irritant (Xi)
S:
26
Source
26
-
27
-
36/37/39
-
45
Source
26
-
36/37/39
-
45
R:
36
Source
34
Source
H314
Source
H314
-
H318
Source
2
Source
II
Source
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
3263
Source
UN1759
Source
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
Source
Danger
Source
P280
-
P305+P351+P338
-
P310
Source
P280
-
P305+P351+P338
-
P309
-
P310
Source
3
Source
UN 3263 8/PG 2
Source
8
Source
Physical Property
44-47°C
Source
44-47 °C(lit.)
Source
44-47°C
Source
44 - 47°C
Source
218-220°C
Source
219°C/760mm
Source
219 °C(lit.)
Source
219°C
Product Information
99%
Source
98%
Source
95%
Source
Download link
Source
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Source
Source
Corrosive (C)
Source
Source
Source
Source
Flash Point
>110°C
Source
235.4 °F
Source
113 °C
Source
>110°C(230°F)
Source
Solubility
Chloroform
Source
Ethyl Acetate
Source
Ether
Source
Toluene
Source
Apperance
White to Light Yellow Powder
Source
Hydrophobicity(logP)
1.665
Source
Empirical Formula (Hill Notation)
C5H4Cl2N2
Source
Storage Warning
TSCA Listed
Storage Condition
European Hazard Symbols
Safety Statements
Risk Statements
GHS Hazard statements
Packing Group
GHS Pictograms
UN Number
Personal Protective Equipment
GHS Signal Word
GHS Precautionary statements
German water hazard class
RID/ADR
Hazard Class
Melting Point
Boiling Point
Purity
Certificate of Analysis