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39196-18-4

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Basic Information
CAS No.: 39196-18-4
Name: THIOFANOX
Article Data: 4
Molecular Structure:
Molecular Structure of 39196-18-4 (THIOFANOX)
Formula: C9H18 N2 O2 S
Molecular Weight: 218.32
Synonyms: 3,3-Dimethyl-1-(methylthio)-2-butanoneO-(methylcarbamoyl)oxime; DS 15647; Dacamox; Thiofanox
Density: 1.05g/cm3
Melting Point: 57℃
Boiling Point: °Cat760mmHg
Flash Point: °C
Solubility: 5.2 g 1 l-1 (22 °C)
Hazard Symbols:
Risk Codes: 27/28-50/53
Safety: Poison by ingestion, inhalation, and skin contact. When heated to decomposition it emits very toxic fumes of NOx and SOx.
PSA: 75.99000
LogP: 2.49840
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Chemistry

Product Name: Dacamox (CAS NO.39196-18-4)


Molecular Formula: C9H18N2O2S
Molecular Weight: 218.32g/mol
Mol File: 39196-18-4.mol
Einecs: 254-346-4
Storage Temperature: 0-6°C
Flash Point: >100 °C
Density: 1.05 g/cm3
Surface Tension: 32.6 dyne/cm
XLogP3-AA: 2.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of Dacamox (CAS NO.39196-18-4):
  IUPAC Name: [(E)-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino]N-methylcarbamate
  Canonical SMILES: CC(C)(C)C(=NOC(=O)NC)CSC
  Isomeric SMILES: CC(C)(C)/C(=N\OC(=O)NC)/CSC
  InChI: InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7- 
  InChIKey: FZSVSABTBYGOQH-XFFZJAGNSA-N
Product Categories: AcaricidesPesticides; Alpha sort; CarbamatesPesticides&Metabolites; Insecticides;Pesticides; Pesticides&Metabolites; Q-ZAlphabetic; TF - TO

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
duck LD50 oral 109mg/kg (109mg/kg)   Pesticide Manual. Vol. 9, Pg. 818, 1991.
quail LD50 oral 1200ug/kg (1.2mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 29, Pg. 779, 1981.
rabbit LD50 skin 39mg/kg (39mg/kg)   Special Publication of the Entomological Society of America. Vol. 78-1, Pg. 60, 1978.
rat LC50 inhalation 70mg/m3 (70mg/m3)   Defense des Vegetaux. Vol. 31, Pg. 158, 1977.
rat LD50 oral 8500ug/kg (8.5mg/kg)   "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 1, Pg. 45, 1977.
rat LD50 skin 39mg/kg (39mg/kg)   Defense des Vegetaux. Vol. 31, Pg. 158, 1977.

Consensus Reports

Reported in EPA TSCA Inventory. EPA Extremely Hazardous Substances List.

Safety Profile

Poison by ingestion, inhalation, and skin contact. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Safety Information of Dacamox (CAS NO.39196-18-4):
Hazard Codes: T+Very,NDangerous
Risk Statements:  27/28-50/53
27:  Very Toxic in contact with skin 
28:  Very Toxic if swallowed 
50:  Very Toxic to aquatic organisms 
53:  May cause long-term adverse effects in the aquatic environment 
Safety Statements: 27-36/37-45-60-61
27:  Take off immediately all contaminated clothing 
36:  Wear suitable protective clothing  
37:  Wear suitable gloves 
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) 
60:  This material and/or its container must be disposed of as hazardous waste 
61:  Avoid release to the environment. Refer to special instructions safety data sheet 

Specification

 Dacamox ,its CAS NO. is 39196-18-4,the synonyms is 1-(2,2-Dimethyl-1-methylthiomethylpropylideneamino-oxy)-N-methylformamide ; 2-Butanone, 3,3-dimethyl-1-(methylthio)-, O-((methylamino)carbonyl)oxime (9CI) ; 3,3-Dimethyl-1-(methylthio)-2-butanone O-((methylamino)carbonyl)oxime ; 3,3-Dimethyl-1-methylthiobutanone O-methylcarbamoyloxime ; AI3-27851 ; BRN 2329756 ; Benelux ; Caswell No. 368BB ; DS-15647 ;  Diamond shamrock DS-15647 ; EINECS 254-346-4 ; ENT 27851 ; EPA Pesticide Chemical Code 109201 ; HSDB 6045 ; Pesticide code No. 10920 ; RCRA waste number P045 ; Thiofanocarb ; Thiophanox .