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1-(8-Amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone

HCID 19081827
NotesReactions

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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
166816-09-7
Standard SMILES
CC(=O)c1cc(Cl)c(N)c2c1OCCO2
InChIKey
ZZJLMNFYILSVEI-UHFFFAOYSA-N
Molecular formula
C10H10ClNO3
Average molar mass
227.647 g/mol
Monoisotopic mass
227.03492086

Names & identifiers

Preferred name
1-(8-Amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
IUPAC
1-(8-Amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)ethan-1-one
English name
1-(8-amino-7-chloro-2,3-dihydrobenzo[b][1,4]dioxin-5-yl)ethanone
Molecular formula
C10H10ClNO3
Molecular weight
227.64

Names & synonyms

Ethanone, 1-(8-amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-(8-amino-7-chloro-2,3-dihydrobenzo[b][1,4]dioxin-5-yl)ethanone

Database identifiers

CAS
166816-09-7
PubChem CID
19081827
DTXSID
DTXSID001183039

Properties

Physicochemical properties

Boiling point
421.8 · 421.8±45.0 °C(Predicted)
Density
1.387 · 1.387±0.06 g/cm3(Predicted)
pka
-0.32 · -0.32±0.20(Predicted)

Chemistry & industry

Suppliers3 total

苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]

Related reactions

2 records
New reaction record
HRID 665092 reaction equation
HRID 665092As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 963363 reaction equation
HRID 963363As productuspto-grants-1998_06

Compound notes

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