CAS No.64436-13-1,ARSENOBETAINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	64436-13-1
Name:	ARSENOBETAINE
Article Data:	5

Formula:	C₅H₁₁AsO₂
Molecular Weight:	178.063
Synonyms:	Arsenobetaine;Trimethylarsonioacetate;
Hazard Symbols:	T,N
Risk Codes:	23/25-50/53
Safety:	20/21-28-45-60-61
Transport Information:	UN 3077 9
PSA:	40.13000
LogP:	0.07450

Synthetic route

: 4964-14-1
trimethylarsine oxide

: 64-69-7
Iodoacetic acid

: 64436-13-1
arsenobetaine

Conditions

Conditions	Yield
With GLUTATHIONE at 37℃; for 2h; aq. buffer;	99%
With methylcobalamin; GLUTATHIONE In water at 37℃; for 94h; pH=7.6; Product distribution / selectivity; Tris-HCl buffer solution;

: 64436-12-0
ethoxycarbonylmethyl(trimethyl)arsonium bromide

: 64436-13-1
arsenobetaine

Conditions

Conditions	Yield
With ion-exchange resin - form> In water
With Dowex 2 (OH-; water	2.5 g
With Dowex 1 x 8 (OH-)

: methylcobalamin

: 75-60-5
Dimethylarsinic acid

: 64-69-7
Iodoacetic acid

A: 64436-13-1
arsenobetaine

B: 2-dimethylarsinyl acetic acid

Conditions

Conditions	Yield
With GLUTATHIONE In water at 37℃; for 94h; pH=7.6; Product distribution / selectivity; Tris-HCl buffer solution;

...Expand

Raw Materials

4964-14-1

64-69-7

64436-12-0

Total:12 Page 1 of 1 1

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Specification

The Arsonium,(carboxymethyl)trimethyl-, inner salt, with the CAS registry number 64436-13-1, is also known as Trimethylarsonioacetate and Arsenobetaine. This chemical's molecular formula is C₅H₁₁AsO₂and molecular weight is 178.06. What's more, its IUPAC name is 2-Trimethylarsoniumylacetate. It is an organoarsenic compound that is the main source of arsenic found in fish. It is the arsenic analog of trimethylglycine, commonly known as betaine.

Physical properties about the Arsonium,(carboxymethyl)trimethyl-, inner salt are: (1) #H bond acceptors: 2; (2) #H bond donors: 1; (3) #Freely Rotating Bonds: 2; (4) Polar Surface Area: 40.13Å².

When you are dealing with this chemical, you should be very careful. This chemical is toxic by inhalation and if swallowed. What's more, it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Therefore, you should obtain special instructions before use it and avoid releasing to the environment. In addition, you should dispose of this material and its container as hazardous waste. During using it, do not eat, drink or smoke. After contact with skin, you should wash immediately with plenty of ... (to be specified by the manufacturer). In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1) SMILES: C[As+](C)(C)CC(=O)[O-]
(2) InChI: InChI=1/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
(3) InChIKey: SPTHHTGLGVZZRH-UHFFFAOYAQ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	> 10 mg/kg (10000 mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Chemosphere. Vol. 14, Pg. 1327, 1985.