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3921/1/5 molecular structure
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2,4-dibromopyrimidine

ChemBase ID: 51065
Molecular Formular: C4H2Br2N2
Molecular Mass: 237.88008
Monoisotopic Mass: 235.85847207
SMILES and InChIs

SMILES:
c1(nc(ccn1)Br)Br
Canonical SMILES:
Brc1ccnc(n1)Br
InChI:
InChI=1S/C4H2Br2N2/c5-3-1-2-7-4(6)8-3/h1-2H
InChIKey:
AOEHEEBFRCAFGC-UHFFFAOYSA-N

Cite this record

CBID:51065 http://www.chembase.cn/molecule-51065.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dibromopyrimidine
IUPAC Traditional name
2,4-dibromopyrimidine
Synonyms
2,4-Dibromopyrimidine
2,4-Dibromopyrimidine
2,4-二溴嘧啶
CAS Number
3921/1/5
3921-01-5
MDL Number
MFCD06798232
PubChem SID
162055828
PubChem CID
14976301

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0826132  LogD (pH = 7.4) 2.0826132 
Log P 2.0826132  Molar Refractivity 39.2848 cm3
Polarizability 14.843825 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
316.6°C expand Show data source
Density
2.197 expand Show data source
Refractive Index
1.615 expand Show data source
Storage Warning
Irritant expand Show data source
IRRITANT, KEEP COLD, STORED UNDER ARGON expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
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 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
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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