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637-03-6 molecular structure
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arsorosobenzene

ChemBase ID: 104498
Molecular Formular: C6H6AsO
Molecular Mass: 169.03284
Monoisotopic Mass: 168.96346081
SMILES and InChIs

SMILES:
O=[AsH]c1ccccc1
Canonical SMILES:
O=[AsH]c1ccccc1
InChI:
InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H
InChIKey:
BQVCCPGCDUSGOE-UHFFFAOYSA-N

Cite this record

CBID:104498 http://www.chembase.cn/molecule-104498.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
arsorosobenzene
IUPAC Traditional name
oxophenylarsine
Synonyms
PHENYL ARSENE OXIDE
Arzene
PAO
Phenylarsine oxide
Oxophenylarsine
PHENYLARSINE OXIDE
氧化苯胂
CAS Number
637-03-6
EC Number
211-275-3
MDL Number
MFCD00001990
Beilstein Number
2935227
Merck Index
146949
PubChem SID
24898387
162091628
PubChem CID
4778

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6743  LogD (pH = 7.4) 1.6743 
Log P 1.6743  Molar Refractivity 26.9172 cm3
Polarizability 14.068373 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO: soluble50 mg/mL expand Show data source
Apperance
white to off-white powder expand Show data source
Melting Point
117-125°C expand Show data source
140-160°C expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
CH8100000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
1557 expand Show data source
3465 expand Show data source
UN3465 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
II expand Show data source
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
23/25-50/53 expand Show data source
R:23/25 expand Show data source
Safety Statements
20/21-28.1-45-60-61 expand Show data source
20/21-28-45-60-61 expand Show data source
S:28-45-20/21 expand Show data source
EU Classification
T5 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
152 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H331-H400-H410 expand Show data source
H301-H331-H410 expand Show data source
GHS Precautionary statements
P261-P273-P301 + P310-P311-P501 expand Show data source
P261-P301+P310-P321-P304+P340-P405-P501A expand Show data source
RID/ADR
UN 3465 6.1/PG 3 expand Show data source
Purity
≥85% expand Show data source
≥97% expand Show data source
≥97.0% (RT) expand Show data source
97% expand Show data source
Grade
purum expand Show data source
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C6H5AsO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05201166 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02156156 external link
Purity: >85%
Sigma Aldrich - P3075 external link
Biochem/physiol Actions
Phenylarsine oxide inhibits internalization of cell surface receptors; inhibits tyrosine phosphatases, with no effect on tyrosine kinase. Metabolic poison.
包装
1, 5 g in glass bottle
Sigma Aldrich - 402494 external link
Biochem/physiol Actions
Phenylarsine oxide inhibits internalization of cell surface receptors; inhibits tyrosine phosphatases, with no effect on tyrosine kinase. Metabolic poison.
Other Notes
Contains varying amounts of polymer
Packaging
1, 5 g in glass bottle
Sigma Aldrich - 78157 external link
Biochem/physiol Actions
Phenylarsine oxide inhibits internalization of cell surface receptors; inhibits tyrosine phosphatases, with no effect on tyrosine kinase. Metabolic poison.
Other Notes
Thiol reagent, modifies the lactose carrier of E. coli1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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