Home > Compound List > Compound details
5555-48-6 molecular structure
click picture or here to close

O-[(2-chlorophenyl)methyl]hydroxylamine hydrochloride

ChemBase ID: 42332
Molecular Formular: C7H9Cl2NO
Molecular Mass: 194.05846
Monoisotopic Mass: 193.00611927
SMILES and InChIs

SMILES:
c1(c(Cl)cccc1)CON.Cl
Canonical SMILES:
NOCc1ccccc1Cl.Cl
InChI:
InChI=1S/C7H8ClNO.ClH/c8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5,9H2;1H
InChIKey:
GZKKABCYIDGALV-UHFFFAOYSA-N

Cite this record

CBID:42332 http://www.chembase.cn/molecule-42332.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
O-[(2-chlorophenyl)methyl]hydroxylamine hydrochloride
IUPAC Traditional name
O-[(2-chlorophenyl)methyl]hydroxylamine hydrochloride
Synonyms
1-[(Aminooxy)methyl]-2-chlorobenzene hydrochloride
O-(2-Chlorobenzyl)hydroxylamine hydrochloride
1-[(Aminooxy)methyl]-2-chlorobenzene hydrochloride
CAS Number
5555-48-6
MDL Number
MFCD01114592
PubChem SID
162047095
PubChem CID
19974989

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 19974989 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9540058  LogD (pH = 7.4) 1.9658293 
Log P 1.9659821  Molar Refractivity 41.7484 cm3
Polarizability 16.254404 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
145 - 148 °C expand Show data source
145-148°C expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle