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33674-96-3 molecular structure
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(6-bromopyridin-2-yl)methanol

ChemBase ID: 87898
Molecular Formular: C6H6BrNO
Molecular Mass: 188.02194
Monoisotopic Mass: 186.96327582
SMILES and InChIs

SMILES:
n1c(cccc1CO)Br
Canonical SMILES:
OCc1cccc(n1)Br
InChI:
InChI=1S/C6H6BrNO/c7-6-3-1-2-5(4-9)8-6/h1-3,9H,4H2
InChIKey:
XDDGKNRSCDEWBR-UHFFFAOYSA-N

Cite this record

CBID:87898 http://www.chembase.cn/molecule-87898.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6-bromopyridin-2-yl)methanol
IUPAC Traditional name
(6-bromopyridin-2-yl)methanol
Synonyms
(2-Bromopyridin-6-yl)methanol
(6-Bromo-2-pyridinyl)methanol
2-Bromo-6-hydroxymethylpyridine
2-Bromopyridine-6-methanol
6-Bromo-2-(hydroxymethyl)pyridine
6-Bromo-2-pyridinemethanol
(6-Bromopyridin-2-yl)methanol
(6-Bromopyridin-2-yl)methanol
2-Bromo-6-(hydroxymethyl)pyridine
(6-Bromo-pyridin-2-yl)methanol
(6-溴-吡啶-2-基)甲醇
CAS Number
33674-96-3
MDL Number
MFCD04039884
PubChem SID
162074938
24879378
PubChem CID
3517811

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.17672  H Acceptors
H Donor LogD (pH = 5.5) 1.0439556 
LogD (pH = 7.4) 1.0439699  Log P 1.0439701 
Molar Refractivity 38.6598 cm3 Polarizability 14.844523 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
34-39 °C(lit.) expand Show data source
34-39°C expand Show data source
36-37°C expand Show data source
Boiling Point
246 °C(lit.) expand Show data source
246°C expand Show data source
Flash Point
>110 °C expand Show data source
>110°C expand Show data source
>230 °F expand Show data source
Storage Warning
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
26-36 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
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
96% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H6BrNO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 554146 external link
Packaging
1, 5 g in glass bottle
Toronto Research Chemicals - B686810 external link
Used in the preparation of 2,6-diaminopyridine compounds for treating diseases associated with amyloid or amyloid-like proteins, especially ocular diseases.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Huc, I., et al.: Chem. Commun., 578 (2002)
  • • Heckmann, D., et al.: Angewandte Chemie, 46, 3571 (2002)
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PATENTS

PATENTS

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INTERNET

INTERNET

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