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15599-52-7 molecular structure
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5,7-dibromo-2-methylquinolin-8-ol

ChemBase ID: 145434
Molecular Formular: C10H7Br2NO
Molecular Mass: 316.97668
Monoisotopic Mass: 314.88943785
SMILES and InChIs

SMILES:
Cc1ccc2c(cc(c(c2n1)O)Br)Br
Canonical SMILES:
Cc1ccc2c(n1)c(O)c(cc2Br)Br
InChI:
InChI=1S/C10H7Br2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3
InChIKey:
BNACJQWJZKPAPV-UHFFFAOYSA-N

Cite this record

CBID:145434 http://www.chembase.cn/molecule-145434.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,7-dibromo-2-methylquinolin-8-ol
IUPAC Traditional name
5,7-dibromo-2-methylquinolin-8-ol
Synonyms
5,7-Dibromo-2-methyl-8-quinolinol
溴喹那多
CAS Number
15599-52-7
EC Number
239-680-0
MDL Number
MFCD00023983
PubChem SID
162239640
PubChem CID
65620

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
367117 external link Add to cart Please log in.
Data Source Data ID
PubChem 65620 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.160773  H Acceptors
H Donor LogD (pH = 5.5) 3.462797 
LogD (pH = 7.4) 3.0522785  Log P 3.4962106 
Molar Refractivity 61.7973 cm3 Polarizability 24.98121 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
126-130 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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
26-37/39 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
97% expand Show data source
Empirical Formula (Hill Notation)
C10H7Br2NO expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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