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5902-52-3

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Basic Information
CAS No.: 5902-52-3
Name: NARLENE
Molecular Structure:
Molecular Structure of 5902-52-3 (NARLENE)
Formula: C11H17 Cl N O2 P S
Molecular Weight: 293.754
Synonyms: Phosphoramidothioicacid, O-(4-tert-butyl-2-chlorophenyl) O-methyl ester (6CI,8CI); Phenol,4-tert-butyl-2-chloro-, O-ester with O-methyl phosphoramidothioate; Narlene;O-(4-tert-Butyl-2-chlorophenyl) O-methyl phosphoroamidothionate
Density: 1.254g/cm3
Boiling Point: 351°C at 760 mmHg
Flash Point: 166.1°C
Safety: Poison by ingestion. See also ESTERS. When heated to decomposition it emits very toxic fumes of SOx, POx, NOx, and Cl−.
PSA: 86.38000
LogP: 5.19680
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Chemistry

Empirical Formula of O-(4-tert-Butyl-2-chlorophenyl) O-methyl phosphoramidothionate (CAS NO.5902-52-3): C11H17ClNO2PS
Molecular Weight: 293.7499 
Index of Refraction: 1.559
Density: 1.254 g/cm3
Flash Point: 166.1 °C
Enthalpy of Vaporization: 59.57 kJ/mol
Boiling Point: 351 °C at 760 mmHg
Vapour Pressure: 4.23E-05 mmHg at 25 °C
Structure of O-(4-tert-Butyl-2-chlorophenyl) O-methyl phosphoramidothionate (CAS NO.5902-52-3):
                       
IUPAC Name: 1-[Amino(methoxy)phosphinothioyl]oxy-4-tert-butyl-2-chlorobenzene
Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)OP(=S)(N)OC)Cl
InChI: InChI=1S/C11H17ClNO2PS/c1-11(2,3)8-5-6-10(9(12)7-8)15-16(13,17)14-4/h5-7H,1-4H3,(H2,13,17)
InChIKey: HAJQRNZSYDJREE-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:820 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 21 (1972),315.
2.    

orl-bwd LD50:75 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 21 (1972),315.

Safety Profile

Poison by ingestion. See also ESTERS. When heated to decomposition O-(4-tert-Butyl-2-chlorophenyl) O-methyl phosphoramidothionate (CAS NO.5902-52-3) emits very toxic fumes of SOx, POx, NOx, and Cl−.

Specification

 O-(4-tert-Butyl-2-chlorophenyl) O-methyl phosphoramidothionate , its cas register number is 5902-52-3. It also can be called Phenol, 4-tert-butyl-2-chloro-, O-ester with O-methyl phosphoramidothioate ; Narlene ; and Phosphoramidothioic acid, methyl-, O-(tert-butyl-2-chlorophenyl) ester .