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39895-81-3

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Basic Information
CAS No.: 39895-81-3
Name: arsenocholine
Molecular Structure:
Molecular Structure of 39895-81-3 (arsenocholine)
Formula: C5H14 As O
Molecular Weight: 165.087
Synonyms: (2-Hydroxyethyl)trimethylarsonium;Arsenocholine
Safety: Low toxicity by ingestion. Mutation data reported. When heated to decomposition it emits toxic vapors of As.
PSA: 20.23000
LogP: 1.31690
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    Arsonium,(2-hydroxyethyl)trimethyl-

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

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Chemistry

Molecular Structure of Arsenocholine (CAS NO. 39895-81-3):

IUPAC Name: 2-Hydroxyethyl(trimethyl)arsanium  
Molecular Formula: C5H14AsO+
Molecular Weight: 165.085660 g/mol
H-Bond Donor: 1
H-Bond Acceptor: 1
Canonical SMILES: C[As+](C)(C)CCO
InChI: InChI=1S/C5H14AsO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKey: ORLOBEXOFQEWFQ-UHFFFAOYSA-N
Freely Rotating Bonds: 3
Polar Surface Area: 9.23 Å2
Water Solubility of Arsenocholine (CAS NO. 39895-81-3): 5004 mg/L at 25 °C

Toxicity Data With Reference

1.    

cyt-hmn-fbr 30 mmol/L

     MUREAV    Mutation Research. 357 (1996),123.
2.    

orl-mus LD50:6500 mg/kg

     JAFCAU    Journal of Agricultural and Food Chemistry. 45 (1997),449.

Safety Profile

Low toxicity by ingestion. Mutation data reported. When heated to decomposition it emits toxic vapors of As.

Specification

  Arsenocholine with cas registry number of 39895-81-3 is also called for (2-Hydroxyethyl)trimethylarsonium ; Arsonium, (2-hydroxyethyl)trimethyl- .