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15256-10-7 molecular structure
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O-[(3,4-dichlorophenyl)methyl]hydroxylamine hydrochloride

ChemBase ID: 41588
Molecular Formular: C7H8Cl3NO
Molecular Mass: 228.50352
Monoisotopic Mass: 226.96714692
SMILES and InChIs

SMILES:
c1(c(ccc(c1)CON)Cl)Cl.Cl
Canonical SMILES:
NOCc1ccc(c(c1)Cl)Cl.Cl
InChI:
InChI=1S/C7H7Cl2NO.ClH/c8-6-2-1-5(4-11-10)3-7(6)9;/h1-3H,4,10H2;1H
InChIKey:
LEUZSWJUEHCRFM-UHFFFAOYSA-N

Cite this record

CBID:41588 http://www.chembase.cn/molecule-41588.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
O-[(3,4-dichlorophenyl)methyl]hydroxylamine hydrochloride
IUPAC Traditional name
O-[(3,4-dichlorophenyl)methyl]hydroxylamine hydrochloride
Synonyms
4-[(Aminooxy)methyl]-1,2-dichlorobenzene hydrochloride
CAS Number
15256-10-7
MDL Number
MFCD01114587
PubChem SID
162046351
PubChem CID
21683122

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21683122 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5566027  LogD (pH = 7.4) 2.5698552 
Log P 2.5700269  Molar Refractivity 46.5532 cm3
Polarizability 18.192318 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
195 °C expand Show data source
195°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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