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| CAS No.: | 531-72-6 |
|---|---|
| Name: | Arsenamide |
| Molecular Structure: | |
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| Formula: | C11H12 As N O5 S2 |
| Molecular Weight: | 377.274 |
| Synonyms: | Aceticacid, mercapto-, diester with p-carbamoyldithiobenzenearsonous acid (6CI,7CI);Acetic acid, mercapto-, p-carbamoyldithiobenzenearsonite (2:1) (8CI);(p-Carbamoylphenylarsylenedithio)diacetic acid;(p-Carbamylphenylarsylenedithio)diacetic acid; Arsenamide;Bis[carboxymethylmercapto](p-carbamylphenyl)arsine; Caparside; Thiacetarsamide;Thioacetaramide; p-[Bis(carboxymethylmercapto)arsino]benzamide |
| Density: | g/cm3 |
| Melting Point: | 168.5°C |
| Boiling Point: | 615.7°Cat760mmHg |
| Flash Point: | 326.1°C |
| Safety: | Possibly a poison. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx, SOx, and As. |
| PSA: | 168.29000 |
| LogP: | 0.81660 |
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Chemistry
Molecule structure of Thiacetarsamide (CAS NO.531-72-6):
IUPAC Name: 2-[(4-carbamoylphenyl)-(carboxymethylsulfanyl)arsanyl]sulfanylacetic acid
Molecular Weight: 377.26828 g/mol
Molecular Formula: C11H12AsNO5S2
Boiling Point: 615.7 °C at 760 mmHg
Flash Point: 326.1 °C
Enthalpy of Vaporization: 96.02 kJ/mol
Vapour Pressure: 5.14E-16 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 5
Rotatable Bond Count: 8
Tautomer Count: 2
Exact Mass: 376.937285
MonoIsotopic Mass: 376.937285
Topological Polar Surface Area: 118
Heavy Atom Count: 20
Complexity: 356
Canonical SMILES: C1=CC(=CC=C1C(=O)N)[As](SCC(=O)O)SCC(=O)O
InChI: InChI=1S/C11H12AsNO5S2/c13-11(18)7-1-3-8(4-2-7)12(19-5-9(14)15)20-6-10(16)17/h1-4H,5-6H2,(H2,13,18)(H,14,15)(H,16,17)
InChIKey Thiacetarsamide (CAS NO.531-72-6): YBQWEUNEYYXYOI-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | dnr-esc 16 µg/well | ENMUDM Environmental Mutagenesis. 3 (1981),429. |
Safety Profile
Possibly a poison. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx, SOx, and As.
Standards and Recommendations
OSHA PEL: TWA 0.5 mg(As)/m3
ACGIH TLV: BEI: 35 µ (As)/L inorganic arsenic and methylated metabolites in urine
Specification
Thiacetarsamide (CAS NO.531-72-6) is also called Arsenamide ; (((4-(Aminocarbonyl)phenyl)arsinidine)bis(thio))biacetic
acid ; 3-16-00-00978 (Beilstein Handbook Reference) ; 4-Carbamylphenyl bis(carboxymethylthio)arsenite ; 4-Carbamylphenyl biscarboxymethylthioarsenite ; BRN 3438926 ; Benzamide, p-bis(carboxymethylmercapto)arsino- ; Bis(carboxymethylmercapto)(p-carbamylphenyl)-arsine ; Capariside ; Disodium salt of the S,S-diester of p-carbamoyldithiobenzenearsonous acid with mercaptoacetic acid ; Dithioglycolyl p-arsenobenzamide ; Thiacetarsamidum ; Thioarsenite ; UNII-VMF4ELY9TZ ; p-(Bis(carboxymethylmercapto)arsino)benzamide .