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42509-80-8

Basic Information
CAS No.: 42509-80-8
Name: ISAZOPHOS
Article Data: 1
Molecular Structure:
Molecular Structure of 42509-80-8 (ISAZOPHOS)
Formula: C9H17ClN3O3PS
Molecular Weight: 313.745
Synonyms: Brace;Miral;Triumph (pesticide);Phosphorothioic acid,esters,O-[5-chloro-1-(1- methylethyl)-1H-1,2,4-triazol-3-yl] O,O-diethyl ester;CGA 12223;Isazophos;Isazofos;CGA-12223;O-(5-CHLORO-1-(1-METHYLETHYL)-1H-1,2,4-TRIAZOL-3-YL) O,O-DIETHYL PHOSPHOROTHIOATE;AI3-29128;TRIUMPH;CIBA 12223;MIRAL 10 G;A-12223;
EINECS: 255-863-8
Density: 1.22 g/cm3 (20℃)
Melting Point: <25℃
Boiling Point: 387.4°C at 760 mmHg
Flash Point: 188.1°C
Solubility: 168 mg l-1 (20 °C)
Hazard Symbols: T+,N
Risk Codes: 24/25-26-43-48/20-50/53
Safety: Poison by ingestion, inhalation, and skin contact. Used as a pesticide against pathogenic root nematodes on bananas, citrus, and various annual crops. When heated to decomposition it emits very toxic fumes of Cl, NOx, POx, and SOx. See also ESTERS.
PSA: 100.30000
LogP: 3.83930
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Chemistry

Product Name: Isazofos (CAS NO.42509-80-8)


Molecular Formula: C9H17ClN3O3PS
Molecular Weight: 313.74g/mol
Mol File: 42509-80-8.mol
Einecs: 255-863-8
Appearance: Yellow liquid
Boiling point: 387.4 °C at 760 mmHg
Storage Temperature: 0-6°C
Flash Point: 188.1 °C
Density: 1.4 g/cm3
Surface Tension: 44.5 dyne/cm
Enthalpy of Vaporization: 63.65 kJ/mol
Vapour Pressure: 3.3E-06 mmHg at 25°C
XLogP3-AA: 3.9
H-Bond Donor: 0
H-Bond Acceptor: 5
Structure Descriptors of Isazofos (CAS NO.42509-80-8):
  IUPAC Name: (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane
  Canonical SMILES: CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)C
  InChI: InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3 
  InChIKey: XRHGWAGWAHHFLF-UHFFFAOYSA-N
Product Categories: H-MAnalytical Standards; IPesticides&Metabolites; Alpha sort; Alphabetic; Nematicides; Pesticides; Pesticides&Metabolites; Analytical Standards

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
hamster LD50 oral 66mg/kg (66mg/kg)   Ciba-Geigy Toxicology Data/Indexes.
mouse LD50 oral 34mg/kg (34mg/kg)   Ciba-Geigy Toxicology Data/Indexes.
rabbit LD50 oral 175mg/kg (175mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
National Technical Information Service. Vol. OTS0535376,
rabbit LD50 skin 755mg/kg (755mg/kg)   Ciba-Geigy Toxicology Data/Indexes.
rat LC50 inhalation 103mg/m3/4H (103mg/m3)   National Technical Information Service. Vol. OTS0535364,
rat LD50 intraperitoneal 36mg/kg (36mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
National Technical Information Service. Vol. OTS0538007,
rat LD50 oral 27mg/kg (27mg/kg) SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0535938,
rat LD50 skin 118mg/kg (118mg/kg)   Pesticide Manual. Vol. 9, Pg. 502, 1991.

Safety Profile

Poison by ingestion, inhalation, and skin contact. Used as a pesticide against pathogenic root nematodes on bananas, citrus, and various annual crops. When heated to decomposition it emits very toxic fumes of Cl, NOx, POx, and SOx. See also ESTERS.
Safety Information of Isazofos (CAS NO.42509-80-8):
Hazard Codes: T+,N
Risk Statements: 24/25-26-43-48/20-50/53 
20:  Harmful by inhalation 
24:  Toxic in contact with skin 
25:  Toxic if swallowed 
26:  Very Toxic by inhalation 
43:  May cause sensitization by skin contact 
48:  Danger of serious damage to health by prolonged exposure 
50:  Very Toxic to aquatic organisms 
53:  May cause long-term adverse effects in the aquatic environment 
Safety Statements: 28-36/37-38-45-59-61
28:  After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 
36:  Wear suitable protective clothing  
37:  Wear suitable gloves 
38:  In case of insufficient ventilation, wear suitable respiratory equipment 
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) 
59:  Refer to manufacturer/supplier for information on recovery/recycling 
61:  Avoid release to the environment. Refer to special instructions safety data sheet 

Specification

 Isazofos ,its CAS NO. is 42509-80-8,the synonyms is O-(5-Chloro-1-isopropyl-1,2,4-triazol-3-yl) O,O-diethyl phosphorothioate ; Phosphorothioic acid, O-(5-chloro-1-(1-methylethyl)-1H-1,2,4-triazol-3-yl) O,O-diethyl ester ; Isazophos ; Miral ;  Ciba 12223 ; EINECS 255-863-8 ;  Brace .