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3430-23-7 molecular structure
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3,5-dibromo-4-methylpyridine

ChemBase ID: 51706
Molecular Formular: C6H5Br2N
Molecular Mass: 250.9186
Monoisotopic Mass: 248.87887317
SMILES and InChIs

SMILES:
c1c(c(c(cn1)Br)C)Br
Canonical SMILES:
Brc1cncc(c1C)Br
InChI:
InChI=1S/C6H5Br2N/c1-4-5(7)2-9-3-6(4)8/h2-3H,1H3
InChIKey:
BNCGUATWCKZLLN-UHFFFAOYSA-N

Cite this record

CBID:51706 http://www.chembase.cn/molecule-51706.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-dibromo-4-methylpyridine
IUPAC Traditional name
3,5-dibromo-4-methylpyridine
Synonyms
3,5-Dibromo-4-picoline
3,5-Dibromo-4-methylpyridine
3,5-Dibromo-4-methylpyridine
3,5-二溴-4-甲基吡啶
CAS Number
3430-23-7
EC Number
000-000-0
MDL Number
MFCD00128859
Beilstein Number
1364818
PubChem SID
162056469
PubChem CID
819338

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 819338 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8057117  LogD (pH = 7.4) 2.8064902 
Log P 2.8065  Molar Refractivity 44.1879 cm3
Polarizability 17.131947 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)
Melting Point
104-107°C expand Show data source
Storage Warning
IRRITANT-HARMFUL expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Purity
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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