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13534-97-9 molecular structure
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6-bromopyridin-3-amine

ChemBase ID: 18438
Molecular Formular: C5H5BrN2
Molecular Mass: 173.0106
Monoisotopic Mass: 171.96361017
SMILES and InChIs

SMILES:
c1c(ncc(c1)N)Br
Canonical SMILES:
Brc1ccc(cn1)N
InChI:
InChI=1S/C5H5BrN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2
InChIKey:
XTHKRYHULUJQHN-UHFFFAOYSA-N

Cite this record

CBID:18438 http://www.chembase.cn/molecule-18438.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromopyridin-3-amine
IUPAC Traditional name
6-bromopyridin-3-amine
Synonyms
5-Amino-2-bromopyridine
6-Bromo-[3]pyridylamine
6-Bromo-3-pyridinamine
5-Amino-2-bromopyridine
3-Amino-6-bromopyridine
6-Bromopyridin-3-amine
5-Amino-2-bromopyridine 99%
6-bromopyridin-3-amine
5-氨基-2-溴吡啶
3-氨基-6-溴吡啶
CAS Number
13534-97-9
13534-47-9
EC Number
000-000-0
MDL Number
MFCD01646116
Beilstein Number
109102
PubChem SID
160981745
24879291
PubChem CID
642811

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9007557  LogD (pH = 7.4) 0.90092 
Log P 0.90092206  Molar Refractivity 37.0665 cm3
Polarizability 13.51215 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)
Apperance
Yellow Powder expand Show data source
Melting Point
74 - 76°C expand Show data source
74-76 °C(lit.) expand Show data source
74-76°C expand Show data source
75-79°C expand Show data source
76-77°C expand Show data source
76-77°C expand Show data source
Hydrophobicity(logP)
1.304 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
MSDS Link
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
20/21/22-36/37/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 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-H312-H332-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, Gloves expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C5H5BrN2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 552844 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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