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1174-83-0

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Basic Information
CAS No.: 1174-83-0
Name: American cyanamid AC-43913
Molecular Structure:
Molecular Structure of 1174-83-0 (American cyanamid AC-43913)
Formula: C16H20 O8 P2 S3
Molecular Weight: 498.476
Synonyms: Phosphorothioicacid, O,O-dimethyl ester, O,O-diester with 4,4'-sulfonyldiphenol (7CI);Phosphorothioic acid, O,O'-(sulfonyldi-p-phenylene) O,O,O',O'-tetramethyl ester(8CI); Phenol, 4,4'-sulfonyldi-, O,O-diester with O,O-dimethyl phosphorothioate(8CI); Phenol, 4,4'-sulfonyldi-, bis(O,O-dimethyl phosphorothioate); Abate sulfone;Temephos sulfone
Density: 1.431g/cm3
Boiling Point: 551.6oC at 760 mmHg
Flash Point: 287.4oC
Safety: Moderately toxic by ingestion. A pesticide. When heated to decomposition it emits very toxic fumes of POx and SOx. See also ESTERS.
PSA: 181.70000
LogP: 6.69360
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Chemistry

Product Name: AC-43913 (CAS NO.1174-83-0)


Molecular Formula: C16H20O8P2S3
Molecular Weight: 498.48g/mol
Mol File: 1174-83-0.mol
Boiling point: 551.6 °C at 760 mmHg
Flash Point: 287.4 °C
Density: 1.431 g/cm3
Surface Tension: 58 dyne/cm
Enthalpy of Vaporization: 80.09 kJ/mol
Vapour Pressure: 1.19E-11 mmHg at 25°C
XLogP3-AA: 4.7
H-Bond Donor: 0
H-Bond Acceptor: 8
Structure Descriptors of AC-43913 (CAS NO.1174-83-0):
  IUPAC Name: [4-(4-dimethoxyphosphinothioyloxyphenyl)sulfonylphenoxy]-dimethoxy-sulfanylidene-λ5-phosphane
  Canonical SMILES: COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OP(=S)(OC)OC
  InChI: InChI=1S/C16H20O8P2S3/c1-19-25(27,20-2)23-13-5-9-15(10-6-13)29(17,18)16-11-7-14(8-12-16)24-26(28,21-3)22-4/h5-12H,1-4H3 
  InChIKey: ZFHDDQUVNSDLLJ-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 42mg/kg (42mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
mouse LD50 oral 580mg/kg (580mg/kg)   Agricultural Research Service, USDA Information Memorandum. Vol. 20, Pg. 1, 1966.
rat LD50 oral 2gm/kg (2000mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.

Safety Profile

Moderately toxic by ingestion. A pesticide. When heated to decomposition it emits very toxic fumes of POx and SOx. See also ESTERS.

Specification

 AC-43913 ,its CAS NO. is 1174-83-0,the synonyms is AI3-27161 ; American cyanamid AC 43,913 ; American cyanamid CL-43913 ; American cyanamid E.I. 43,913 ; BRN 2193085 ; E.I. 43,913 ; ENT 27,161 ; O,O'-(Sulfonyldi-1,4-phenylene) O,O,O',O'-tetramethyl diphosphorothioate ; Phosphorothioic acid, O,O'-(sulfonyldi-1,4-phenylene) O,O,O',O'-tetramethyl ester .