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35486-42-1 molecular structure
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3,5-dibromopyridin-2-amine

ChemBase ID: 13710
Molecular Formular: C5H4Br2N2
Molecular Mass: 251.90666
Monoisotopic Mass: 249.87412214
SMILES and InChIs

SMILES:
c1(cnc(c(c1)Br)N)Br
Canonical SMILES:
Brc1cnc(c(c1)Br)N
InChI:
InChI=1S/C5H4Br2N2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
InChIKey:
WJMJWMSWJSACSN-UHFFFAOYSA-N

Cite this record

CBID:13710 http://www.chembase.cn/molecule-13710.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-dibromopyridin-2-amine
IUPAC Traditional name
3,5-dibromopyridin-2-amine
Synonyms
2-Amino-3,5-dibromopyridine
3,5-dibromopyridin-2-amine
2-Amino-3,5-dibromopyridine
2-氨基-3,5-二溴吡啶
CAS Number
35486-42-1
EC Number
252-590-6
MDL Number
MFCD00038041
Beilstein Number
119390
PubChem SID
160977017
24850871
PubChem CID
98851

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0551338  LogD (pH = 7.4) 2.0585663 
Log P 2.0586102  Molar Refractivity 44.1606 cm3
Polarizability 16.616228 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
102-104°C expand Show data source
102-105°C expand Show data source
104-105 °C(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant 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
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% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H4Br2N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 180505 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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