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10132-07-7 molecular structure
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2,6-dichloropyrimidin-4-amine

ChemBase ID: 67661
Molecular Formular: C4H3Cl2N3
Molecular Mass: 163.99272
Monoisotopic Mass: 162.97040247
SMILES and InChIs

SMILES:
c1(nc(cc(n1)Cl)N)Cl
Canonical SMILES:
Nc1cc(Cl)nc(n1)Cl
InChI:
InChI=1S/C4H3Cl2N3/c5-2-1-3(7)9-4(6)8-2/h1H,(H2,7,8,9)
InChIKey:
UPVBKNZVOJNQKE-UHFFFAOYSA-N

Cite this record

CBID:67661 http://www.chembase.cn/molecule-67661.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dichloropyrimidin-4-amine
IUPAC Traditional name
2,6-dichloropyrimidin-4-amine
Synonyms
4-Amino-2,6-dichloropyrimidine
2,6-Dichloropyrimidin-4-amine
4-Amino-2,6-dichloro-1,3-diazine
4-Amino-2,6-dichloropyrimidine 98+%
4-Amino-2,6-dichloropyrimidine
2,6-dichloropyrimidin-4-amine
2,4-Dichloro-6-aminopyrimidine
4-氨基-2,6-二氯嘧啶
CAS Number
10132-07-7
EC Number
233-369-3
MDL Number
MFCD00038015
PubChem SID
162033396
24885465
PubChem CID
82387

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5480343  LogD (pH = 7.4) 1.5480392 
Log P 1.5480392  Molar Refractivity 39.1009 cm3
Polarizability 13.769768 Å3 Polar Surface Area 51.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
258-267 °C expand Show data source
258-267°C expand Show data source
Hydrophobicity(logP)
1.164 expand Show data source
Storage Warning
Harmful/Irritant/Keep Cold expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) 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
22-36/37/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C4H3Cl2N3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 679070 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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