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1-(Dichloroacetyl)-1,2,3,4-tetrahydroquinolin-6-ol

HCID 3017326
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
62265-67-2
Standard SMILES
O=C(C(Cl)Cl)N1CCCc2cc(O)ccc21
InChIKey
OMZBOXOCCLZODD-UHFFFAOYSA-N
Molecular formula
C11H11Cl2NO2
Average molar mass
260.11 g/mol
Monoisotopic mass
259.016684

Names & identifiers

Preferred name
1-(Dichloroacetyl)-1,2,3,4-tetrahydroquinolin-6-ol
IUPAC
2,2-dichloro-1-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
English name
1-(dichloroacetyl)-1,2,3,4-tetrahydroquinolin-6-ol
Molecular formula
C11H11Cl2NO2
Molecular weight
260.12

Names & synonyms

62265-67-21-(Dichloroacetyl)-1,2,3,4-tetrahydro-6-quinolinol1-(Dichloroacetyl)-1,2,3,4-tetrahydroquinolin-6-ol2,2-dichloro-1-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone2,2-Dichloro-1-(6-hydroxy-3,4-dihydroquinolin-1(2H)-yl)ethanoneEINECS 263-477-6CHEMBL3229661SCHEMBL11851816DTXSID80211319OMZBOXOCCLZODD-UHFFFAOYSA-NMFCD00800237DB-328658
Show more names
Quinfamide Impurity 12,2-Dichloro-1-(3,4-dihydro-6-hydroxy-1(2H)-quinolinyl)ethanoneEthanone, 2,2-dichloro-1-(3,4-dihydro-6-hydroxy-1(2H)-quinolinyl)-Quinfamide Impurity 1 (1-(Dichloroacetyl)-1,2,3,4-Tetrahydro-6-Quinolinol)
NS000349872,2-Dichloro-1-(6-hydroxy-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one

Database identifiers

CAS
62265-67-2
PubChem CID
3017326

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
273

Physicochemical properties

Melting point
136 · 136-136.5 °C(Solv: chloroform (67-66-3); hexane (110-54-3))
Boiling point
501 · 501.0±50.0 °C(Predicted)
Density
1.443 · 1.443±0.06 g/cm3(Predicted)
storage temp.
Hygroscopic, Refrigerator, under inert atmosphere
solubility
Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form
Solid
pka
10.11 · 10.11±0.20(Predicted)
color
White to Beige

Chemistry & industry

Applications

UsesMain Quinfamide (Q670600) metabolite.

Upstream & downstream products

Downstream products

Quinfamide

Suppliers21 total

苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
孟成科技(上海)有限公司400-820-6829 · [email protected]
上海乔木化学科技有限公司021-60451683 15021268886 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海裕英生物医药科技有限公司021-50158063 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
河南誉康卓宁进出口有限公司

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
DTXSID
DTXSID80211319
ChEMBL
CHEMBL3229661
EC Number
263-477-6
Nikkaji
J307.014J
13393721940 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
BOC Sciences16314854226 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海乔木化学科技有限公司021-60451683 15001705751 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
TLC梯尔希(南京)药物研发有限公司18012923235 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]