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Molecule
ID:2703
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂H₇AsO₂
Molecular Mass
137.99738
Exact Mass
137.96620046
Charge
0
InChI
InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
InChIKey
OGGXGZAMXPVRFZ-UHFFFAOYSA-N
Canonic Smiles
C[As](=O)(O)C
Isomeric Smiles
C[As](=O)(C)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.50
LogD (pH = 5.5)
-0.40
Log P
-0.33
Rotatable Bonds
0
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
6.22
Polar Surface Area
37.30
Polarizability
9.16
Molar Refractivity
15.90
LOG S
1.33
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Academic Data
•
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Names and Identifiers
•
IUPAC Traditional name
•
IUPAC name
•
Synonyms
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Properties
•
Safety Information
•
Product Information
•
Physical Property
Related Proteins
•
PDB Bank
Molecular Spectra
Molecule Details
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Academic Data
DrugBank
DB02994
PubChem
2513
Wikipedia
Cacodylic_acid
ChEBI
CHEBI:48765
Commercial Catalog
MP Biomedicals
02105644
05209742
Sigma Aldrich
20835
271837
C0125
PS51
05-0015
TRC
C052500
Alfa Aesar
A12075
Names and Identifiers
IUPAC Traditional name
hydroxydimethylarsine oxide
cacodylate
ansar
IUPAC name
dimethylarsinic acid
Synonyms
Hydroxydimethylarsine Oxide
Dimethylarsinic acid
Dimethylarsonic acid
CACODYLIC ACID FREE ACID
Hydroxydimethylarsine oxide
二甲胂酸
羟基二甲基氧化胂
Arsecodild
Ansad
Phytar 560, DMAd
Cacodylic acid
二甲基胂酸
UN 1572
Hydroxydimethylarsine oxidd
Cacodylic acid
二甲次胂酸
Dimethylarsenic acid
CACODYLIC ACID
Silvisad
二甲基胂酸
Dimethylarsinic acid
卡可基酸
Silvisar 510
Arsan
NSC 71158
NSC 71157
Phytar
Ansar 138
As,As-Dimethylarsinic Acid
Sylvicor
NSC 103115
二甲胂酸
Kakodylsaeure
dimethylarsinic acid
Dimethylarsinate
CACODYLIC ACID
Me2As(=O)OH
[As(CH3)2O(OH)]
Registration numbers
MDL Number
MFCD00002095
EC Number
200-883-4
PubChem SID
160966152
24852508
24899237
46507712
24892235
49658582
Beilstein Number
1736965
CAS Number
75-60-5
PubChem CID
2513
DrugBank ID
DB02994
Unique Ingredient Identifier
AJ2HL7EU8K
KEGG ID
C07308
CHEBI ID
29839
CHEBI:29839
CHEBI:48765
CHEBI:48764
Chemspider ID
2418
Wikipedia Title
Cacodylic_acid
Merck Index
141604
Protein Data Bank
3pnh
1d0c
3n6e
1d1w
3jwy
3n5q
1d1x
3n69
1d1y
3n5p
7cy3
7mdp
3n5t
3to9
5nse
3n6f
3n6g
3to7
1d1v
3n6c
3nlu
7cw1
3n5s
5vv8
1ed5
4imx
3n6a
3nle
3rqo
9nse
3n5r
3n68
7cz0
3nlh
3n6b
7cy9
4uhf
8nse
4uhh
3s2s
5yge
3nlg
1ed4
4zdq
6nse
3nli
3nld
7nse
3jwx
1d0o
5whi
1ed6
3jwz
3nlf
3jww
3n67
7ea4
3nlt
3n6d
3rqp
PubMed Citation Links
11549254
21457993
21608259
11379771
21342701
BRENDA Database
2.3.2.5
3.5.4.17
1.1.1.30
3.1.1.6
3.5.4.18
1.20.4.2
2.1.1.137
1.1.1.213
1.2.1.11
4.2.1.42
CHEMBL
CHEMBL1231644
BRENDA Ligand Database
47200
105935
45720
13496
BKMS React Database
105935
13496
45720
47200
Reaxys Registry
1736965
UniProt Database
O94524
P48239
Q04806
P36156
ACToR Database
75-60-5
917-76-0
11126-73-1
PPDB Database
2,879
Gmelin ID
130562
SureChEMBL Database
SCHEMBL15351
MetaboLights Database
MTBLS2878
MTBLS1906
PDBeChem Database
CAD
Reactom Database
R-HSA-6800149
Drug Central Database
3,058
NMRShiftDB Database
20200266
CompTox Database
DTXSID7020508
Related Proteins
PDB Bank
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3PNH
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1D0C
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3N6E
Loading...
1D1W
Loading...
3JWY
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3N5Q
1D1X
3N69
1D1Y
3N5P
7CY3
7MDP
3N5T
3TO9
5NSE
3N6F
3N6G
3TO7
1D1V
3N6C
3NLU
7CW1
3N5S
5VV8
1ED5
4IMX
3N6A
3NLE
3RQO
9NSE
3N5R
3N68
7CZ0
3NLH
3N6B
7CY9
4UHF
8NSE
4UHH
3S2S
5YGE
3NLG
1ED4
4ZDQ
6NSE
3NLI
3NLD
7NSE
3JWX
1D0O
5WHI
1ED6
3JWZ
3NLF
3JWW
3N67
7EA4
3NLT
3N6D
3RQP
Molecule Details
DrugBank
DB02994
Drug information: experimental
MP Biomedicals
02105644
Free Acid
Crystalline
Purity: 98%
This product is very hygroscopic. Care should also be used due to the poisonous nature of this product.
05209742
MP Biomedicals Rare Chemical collection
Wikipedia
Cacodylic_acid
Sigma Aldrich
20835
Application
Used as herbicides.
Packaging
10, 50 g in glass bottle
TRC
C052500
Cacodylic acid is used for dermatologic treatment in cronic eczema, anemia and as a tonic.
ChEBI
CHEBI:48765
The organoarsenic compound that is arsenic acid substituted on the central arsenic atom with two methyl groups.
References
PubChem Literature
From Data Sources
•
Mandal, B., et al.: Talanta, 58, 201 (2002)
•
Naranmandura, H., et al.: Toxicol. Appl. Pharmacol., 227, 390 (2002)
•
Naranmandura, H., et al.: Chem. Res. Toxicol., 20, 616 (2002)
•
Violin, J., et al.: J. Biol. Chem., 283, 2949 (2002)
Bioactivity
PubChem BioAssay
Registration numbers
•
MDL Number
•
EC Number
•
PubChem SID
•
Beilstein Number
•
CAS Number
•
PubChem CID
•
DrugBank ID
•
Unique Ingredient Identifier
•
KEGG ID
•
CHEBI ID
•
Chemspider ID
•
Wikipedia Title
•
Merck Index
•
Protein Data Bank
•
PubMed Citation Links
•
BRENDA Database
•
CHEMBL
•
BRENDA Ligand Database
•
BKMS React Database
•
Reaxys Registry
•
UniProt Database
•
ACToR Database
•
PPDB Database
•
Gmelin ID
•
SureChEMBL Database
•
MetaboLights Database
•
PDBeChem Database
•
Reactom Database
•
Drug Central Database
•
NMRShiftDB Database
•
CompTox Database
Molecule Details
•
DrugBank
•
MP Biomedicals
•
Wikipedia
•
Sigma Aldrich
•
TRC
•
ChEBI
Properties
Safety Information
Emergency Response Guidebook(ERG) Number
151
Source
EU Classification
T2
Source
Storage Condition
Room Temperature (15-30°C), Desiccate
Source
EU Hazard Identification Number
6.1B
Source
UN Number
1572
Source
UN1572
Source
Toxic (T)
6.1
Source
2X
Source
Download link
Source
Download link
Source
Download link
Source
Download link
Source
Download link
Source
R:
23/25
Source
R26/27/28
,
R40
Source
23/25
-
50/53
Source
II
Source
2
Source
CH7525000
Source
S:
28
-
45
-
20/21
Source
20/21
-
28
-
45
-
60
-
61
H301
-
H331
-
H410
Source
H301
-
H331
-
H400
-
H410
Source
Hazardous to the aquatic environment
Acute hazard, category1
Chronic hazard, categories 1,2
3
Source
UN 1572 6.1/PG 2
Source
Danger
Source
P261
-
P273
-
P301+P310
-
P311
-
P501
Source
P261
-
P301+P310
-
P321
-
P304+P340
-
P405
-P501A
是
Source
Hygroscopic
Source
Product Information
98%
Source
≥99.0%
Source
≥98%
Source
Download link
Source
Download link
Source
Download link
Source
Physical Property
195°C
Source
192 - 198 °C
Source
200°C
Source
667 g/l in water
Source
White crystals or powder
Source
> 200 °C
Source
Source
Highly toxic (T+)
Source
Nature polluting (N)
Source
Download link
Source
Download link
Source
Source
Source
Acute toxicity (oral, dermal, inhalation), categories 1,2,3
Source
Source
Linear Formula
(CH3)2As(O)OH
Source
Grade
analytical standard
Source
SAJ first grade
Source
Packaging
ampule of 500 mg
Source
p𝘒ₐ
6.3
Source
European Hazard Symbols
Hazard Class
Australian Hazchem
MSDS Link
Risk Statements
Packing Group
RTECS
Safety Statements
GHS Hazard statements
GHS Pictograms
German water hazard class
RID/ADR
GHS Signal Word
GHS Precautionary statements
TSCA Listed
Storage Warning
Purity
Certificate of Analysis
Melting Point
Solubility
Apperance
Boiling Point