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7580-37-2

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Basic Information
CAS No.: 7580-37-2
Name: tetrakis(hydroxymethyl)phosphonium acetate
Molecular Structure:
Molecular Structure of 7580-37-2 (tetrakis(hydroxymethyl)phosphonium acetate)
Formula: C4H12O4P•C2H3O2
Molecular Weight: 214.18
Synonyms: tetrakis(hydroxymethyl)phosphonium acetate;Phosphonium, tetrakis(hydroxymethyl)-, acetate (salt)
Melting Point: 154oC
Safety: Poison by intravenous route. When heated to decomposition it emits toxic fumes of POx.
PSA: 134.64000
LogP: -2.44060
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Chemistry

Molecule structure of Tetrakis(hydroxymethyl)phosphonium acetate (CAS NO.7580-37-2) :

IUPAC Name: tetrakis(hydroxymethyl)phosphanium acetate 
Molecular Weight: 214.153461 g/mol
Molecular Formula: C6H15O6P
H-Bond Donor: 4
H-Bond Acceptor: 6
Rotatable Bond Count: 4
Exact Mass: 214.060625
MonoIsotopic Mass: 214.060625
Topological Polar Surface Area: 121
Heavy Atom Count: 13 
Complexity: 81
Canonical SMILES: CC(=O)[O-].C(O)[P+](CO)(CO)CO
InChI: InChI=1S/C4H12O4P.C2H4O2/c5-1-9(2-6,3-7)4-8;1-2(3)4/h5-8H,1-4H2;1H3,(H,3,4)/q+1;/p-1
InChIKey: VELJAQNIUXJKSV-UHFFFAOYSA-M
EINECS of Tetrakis(hydroxymethyl)phosphonium acetate (CAS NO.7580-37-2) : 231-481-7

Toxicity Data With Reference

1.    

ivn-mus LD50:100 mg/kg

     CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#03094 .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous route. When heated to decomposition it emits toxic fumes of POx.

Specification

 Tetrakis(hydroxymethyl)phosphonium acetate (CAS NO.7580-37-2) is also called NSC 222421 ; Phosphonium, tetrakis(hydroxymethyl)-, acetate ; Phosphonium, tetrakis(hydroxymethyl)-, acetate ; Phosphonium, tetrakis(hydroxymethyl)-, acetate (1:1) ; Phosphonium, tetrakis(hydroxymethyl)-, acetate (salt) .