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2108-39-6 molecular structure
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2,5-dibromopyridine

ChemBase ID: 11749
Molecular Formular: C5H3Br2N
Molecular Mass: 236.89202
Monoisotopic Mass: 234.8632231
SMILES and InChIs

SMILES:
c1(cnc(cc1)Br)Br
Canonical SMILES:
Brc1ccc(cn1)Br
InChI:
InChI=1S/C5H3Br2N/c6-4-1-2-5(7)8-3-4/h1-3H
InChIKey:
ZHXUWDPHUQHFOV-UHFFFAOYSA-N

Cite this record

CBID:11749 http://www.chembase.cn/molecule-11749.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dibromopyridine
IUPAC Traditional name
2,5-dibromopyridine
Synonyms
2,5-Dibromo-pyridine
3,6-Dibromopyridine
NSC 76597
2,5-Dibromopyridine
2,5-Dibromopyridine
2,5-二溴吡啶
CAS Number
2108-39-6
624-28-2
EC Number
210-839-6
MDL Number
MFCD00006221
Beilstein Number
109099
PubChem SID
24893859
160975056
24861137
PubChem CID
69353

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4986  LogD (pH = 7.4) 2.4986007 
Log P 2.4986007  Molar Refractivity 39.9889 cm3
Polarizability 15.4763775 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform, expand Show data source
Apperance
Off-White Crystals expand Show data source
Melting Point
75-78°C expand Show data source
92-95 °C expand Show data source
92-95 °C(lit.) expand Show data source
92-95°C expand Show data source
92-96°C expand Show data source
93-94°C expand Show data source
Boiling Point
235°C expand Show data source
249°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Light Sensitive/Store under Argon 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
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
26-37/39 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
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, Gloves expand Show data source
Purity
≥97.0% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C5H3Br2N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D43107 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • In a detailed study of conditions for monolithiation with n-BuLi, it was found that coordinating solvents, e.g. ether, and high concentrations favor 5-substitution, while non-coordinating sovents, e.g. toluene, and lower concentrations favor 2-substitution. At -78o C in toluene, good yields of various 2-substituted 5-bromopyridines were obtained: Tetrahedron Lett., 41, 335 (2000).
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PATENTS

PATENTS

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INTERNET

INTERNET

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