Product Name

  • Name

    2-[4-(DIETHOXYPHOSPHORYLMETHYL)PHENYL]BENZOTHIAZOLE

  • EINECS
  • CAS No. 75889-62-2
  • Article Data6
  • CAS DataBase
  • Density 1.243g/cm3
  • Solubility
  • Melting Point 96.5°C
  • Formula C18H20 N O3 P S
  • Boiling Point 512.1°C at 760 mmHg
  • Molecular Weight 361.401
  • Flash Point 263.5°C
  • Transport Information
  • Appearance
  • Safety Poison by intravenous route. Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. Experimental reproductive effects. A calcium antagonist. When heated to decomposition it emits toxic fumes of POx, SOx, and NOx. See also ESTERS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 75889-62-2 (2-[4-(DIETHOXYPHOSPHORYLMETHYL)PHENYL]BENZOTHIAZOLE)
  • Hazard Symbols
  • Synonyms Phosphonicacid, [[4-(2-benzothiazolyl)phenyl]methyl]-, diethyl ester (9CI); A 53986;Fostedil; KB 944
  • PSA 86.47000
  • LogP 5.72940

Diethyl 4-(benzothiazol-2-yl)benzylphosphonate Chemical Properties

Molecule structure of Diethyl 4-(benzothiazol-2-yl)benzylphosphonate (CAS NO.75889-62-2):

IUPAC Name: 2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzothiazole 
Molecular Weight: 361.395061 g/mol
Molecular Formula: C18H20NO3PS
Density: 1.243 g/cm3 
Boiling Point: 512.1 °C at 760 mmHg 
Flash Point: 263.5 °C
Index of Refraction: 1.596
Molar Refractivity: 98.97 cm3
Molar Volume: 290.7 cm3
Polarizability: 39.23×10-24 cm3
Surface Tension: 48.9 dyne/cm 
Enthalpy of Vaporization: 75.36 kJ/mol
Vapour Pressure: 4.29E-10 mmHg at 25 °C
XLogP3: 3.5
H-Bond Acceptor: 4
Rotatable Bond Count: 7
Exact Mass: 361.090151
MonoIsotopic Mass: 361.090151
Topological Polar Surface Area: 48.4
Heavy Atom Count: 24
Complexity: 432
Canonical SMILES: CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)OCC
InChI: InChI=1S/C18H20NO3PS/c1-3-21-23(20,22-4-2)13-14-9-11-15(12-10-14)18-19-16-7-5-6-8-17(16)24-18/h5-12H,3-4,13H2,1-2H3
InChIKey: FVYRUSCZCWSFLT-UHFFFAOYSA-N
Classification Code of Diethyl 4-(benzothiazol-2-yl)benzylphosphonate (CAS NO.75889-62-2): Calcium channel blockers; Cardiovascular Agents; Drug / Therapeutic Agent; Membrane Transport; Modulators; Vasodilator [calcium channel blocker]

Diethyl 4-(benzothiazol-2-yl)benzylphosphonate Toxicity Data With Reference

1.    

orl-rat LD50:1555 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 32 (1982),1068.
2.    

ipr-rat LD50:479 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 32 (1982),1068.
3.    

scu-rat LD50:2216 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 32 (1982),1068.
4.    

orl-mus LD50:2807 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 32 (1982),1068.
5.    

ipr-mus LD50:777 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 32 (1982),1068.
6.    

ivn-dog LD50:76 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 32 (1982),1068.

Diethyl 4-(benzothiazol-2-yl)benzylphosphonate Safety Profile

Poison by intravenous route. Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. Experimental reproductive effects. A calcium antagonist. When heated to decomposition it emits toxic fumes of POx, SOx, and NOx. See also ESTERS.

Diethyl 4-(benzothiazol-2-yl)benzylphosphonate Specification

 Diethyl 4-(benzothiazol-2-yl)benzylphosphonate (CAS NO.75889-62-2) is also named as (p-(2-Benzothiazolyl)benzyl)phosphonic acid diethyl ester ; A 53986 ; A-53986 ; BRN 3626546 ; Diethyl ((4-(2-benzothiazolyl)phenyl)methyl)phosphonate ; Diethyl (p-2-benzothiazolylbenzyl)phosphonate ; Fostedil ; Fostedilum ; Fostedilum [Latin] ; KB-944 ; Phosphonic acid, ((4-(2-benzothiazolyl)phenyl)methyl)-, diethyl ester ; UNII-D41WS786UL .

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View