Product Name

6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 5-oxo-2,4,8-trimethyl-, (1-methylethylidene)di-4,1-phenylene ester Chemical Properties

IUPAC Name: Methyl(1E)-N-[methyl-[methyl-[4-[2-[4-[methyl-[methyl-[(E)-1-methylsulfanylethylideneamino]oxycarbonylamino]sulfanylcarbamoyl]oxyphenyl]propan-2-yl]phenoxy]carbonylamino]sulfanylcarbamoyl]oxyethanimidothioate 
Following is the structure of 6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 5-oxo-2,4,8-trimethyl-, (1-methylethylidene)di-4,1-phenylene ester (CAS NO.79006-76-1):
                           
Empirical Formula: C29H38N6O8S4
Molecular Weight: 726.9074 g/mol
Surface Tension: 47.254 dyne/cm
Density: 1.29 g/cm3
Flash Point: 401.264 °C
Enthalpy of Vaporization: 107.916 kJ/mol
Boiling Point: 739.878 °C at 760 mmHg
Index of Refraction of 6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 5-oxo-2,4,8-trimethyl-, (1-methylethylidene)di-4,1-phenylene ester (CAS NO.79006-76-1): 1.597
Canonical SMILES: CC(=NOC(=O)N(C)SN(C)C(=O)OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC(=O)N(C)SN
(C)C(=O)ON=C(C)SC)SC
Isomeric SMILES: C/C(=N\OC(=O)N(SN(C(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)N(SN(C(=O)O/N=
C(/SC)\C)C)C)(C)C)C)C)/SC
InChI: InChI=1S/C29H38N6O8S4/c1-19(44-9)30-42-27(38)34(7)46-32(5)25(36)40-23-15-11-21(12-16-23)29(3,4)22-13-17-24(18-14-22)41-26(37)33(6)47-35(8)28(39)43-31-20(2)45-10/h11-18H,1-10H3/b30-19+,31-20+
InChIKey: JJMZASHUNYULKS-LVXWCJCWSA-N

6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 5-oxo-2,4,8-trimethyl-, (1-methylethylidene)di-4,1-phenylene ester Toxicity Data With Reference

1.    

orl-rat LD50:508 mg/kg

     USXXAM    United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #4400389 .

6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 5-oxo-2,4,8-trimethyl-, (1-methylethylidene)di-4,1-phenylene ester Safety Profile

 Moderately is toxic by ingestion. When heated to decomposition, 6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 5-oxo-2,4,8-trimethyl-, (1-methylethylidene)di-4,1-phenylene ester (CAS NO.79006-76-1) emits toxic vapors of NOx and SOx.

6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 5-oxo-2,4,8-trimethyl-, (1-methylethylidene)di-4,1-phenylene ester Specification

 6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 5-oxo-2,4,8-trimethyl-, (1-methylethylidene)di-4,1-phenylene ester , its cas register number is 79006-76-1. Its classification code are Agricultural Chemical and Insecticide.

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