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72-80-0 molecular structure
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5,7-dichloro-2-methylquinolin-8-ol

ChemBase ID: 92032
Molecular Formular: C10H7Cl2NO
Molecular Mass: 228.07468
Monoisotopic Mass: 226.99046921
SMILES and InChIs

SMILES:
n1c(ccc2c(cc(c(c12)O)Cl)Cl)C
Canonical SMILES:
Cc1ccc2c(n1)c(O)c(cc2Cl)Cl
InChI:
InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3
InChIKey:
GPTXWRGISTZRIO-UHFFFAOYSA-N

Cite this record

CBID:92032 http://www.chembase.cn/molecule-92032.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,7-dichloro-2-methylquinolin-8-ol
IUPAC Traditional name
sterosan
chlorquinaldol
Synonyms
5,7-Dichloro-2-methyl-8-quinolinol
5,7-Dichloro-8-quinaldinol
5,7-Dichloro-8-hydroxy-2-methylquinoline
BCM
5,7-Dichloro-8-hydroxyquinaldine
5,7-Dichloro-2-methylquinolin-8-ol
Chlorquinaldol
5,7-Dichloro-8-hydroxy-2-methylquinoline
Chlorquinaldol
氯喹那多
5,7-二氯-8-羟基-2-甲基喹啉
5,7-二氯-2-甲基-8-羟基喹啉
5,7-二氯-8-羟基喹哪啶
CAS Number
72-80-0
EC Number
200-789-3
MDL Number
MFCD00023984
Beilstein Number
156683
PubChem SID
162078730
24847966
24893930
24862026
PubChem CID
6301
ATC CODE
R02AA11
D08AH02
G01AC03
P01AA04
CHEMBL
224325
Chemspider ID
6062
KEGG ID
D07208
Wikipedia Title
Chlorquinaldol

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.9858327  H Acceptors
H Donor LogD (pH = 5.5) 3.1179976 
LogD (pH = 7.4) 2.5990152  Log P 3.1667948 
Molar Refractivity 56.1613 cm3 Polarizability 23.078865 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
108-112 °C (dec.)(lit.) expand Show data source
108-112(dec.)°C expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
RTECS
VC5600000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) 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
22-36/37/38 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
H302-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
Storage Temperature
2-8°C expand Show data source
Target
Others expand Show data source
Purity
≥96.0% (NT) expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Salt Data
Free Base expand Show data source
Empirical Formula (Hill Notation)
C10H7Cl2NO expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 130532 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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