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173584-44-6

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Basic Information
CAS No.: 173584-44-6
Name: INDOXACARB
Article Data: 9
Molecular Structure:
Molecular Structure of 173584-44-6 (INDOXACARB)
Formula: C22H17ClF3N3O7
Molecular Weight: 527.841
Synonyms: Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylicacid,7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-,methyl ester, (S)-;(S)-Indoxacarb;Advion;Advion fire ant bait;Avatar;Avaunt;DPX-KN 128;DPX-MP 062-382;Explicit;Indoxacarb MP;KN 128;Parkway Mole Cricket Bait;Provaunt;Steward;
EINECS: 200-258-5
Density: 1.537 g/cm3
Melting Point: 88.1oC
Boiling Point: 571.4 °C at 760 mmHg
Flash Point: 299.3 °C
PSA: 106.97000
LogP: 3.46680
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Chemistry

IUPAC Name: Methyl (4aS)-7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[3,2-e][1,3,4]oxadiazine-4a-carboxylate
CAS: 173584-44-6
Following is the Molecular Structure of Indoxacarb (173584-44-6):

SMILES: FC(F)(F)Oc1ccc(cc1)N(C(=O)OC)C(=O)N3/N=C4/c2c(cc(Cl)cc2)C[C@@]4(OC3)C(=O)OC
InChI: InChI=1/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1
InChIKey: VBCVPMMZEGZULK-NRFANRHFBE
Std.InChI: InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1
Std.InChIKey: VBCVPMMZEGZULK-NRFANRHFSA-N
Molecular Formula: C22H17ClF3N3O7
Molecular Weight: 527.83
Boiling Point: 571.4℃ at 760mmHg
Flash Point: 299.3℃
Molar Volume: 343.3cm3
Density: 1.53g/cm3
Index of Refraction: 1.601
Molar Refractivity: 117.72cm3
Surface Tension: 49.4dyne/cm
Polarizability: 46.67 10-24cm3
Enthalpy of Vaporization: 85.67kJ/mol
Vapour Pressure:  4.59E-13mmHg at 25℃

Toxicity Data With Reference

1.    

skn-rat LD50:5000 mg/kg

     FEREAC    Federal Register. 67 (2002),3703.
2.    

ihl-rat LC50:5.5 g/m3

     FEREAC    Federal Register. 67 (2002),3703.
3.    

orl-rat LD50:268 mg/kg

     FEREAC    Federal Register. 67 (2002),3703.

Safety Profile

A poison by ingestion. Low toxicity by inhalation and skin contact. Experimental reproductive effects.

Specification

 Indoxacarb (173584-44-6),which also can be called for Indoxacarb-mp ; Methyl 7-chloro-2,5-dihydro-2-[n-(methoxycarbonyl)-4-(trifluoromethoxy)anilinocarbonyl]indeno[1,2-e][1,3,4]oxadiazine-4a(3h)carboxylate ; Indeno1,2-e1,3,4oxadiazine-4a(3h)-carboxylic acid,7-chloro-2,5-dihydro-2-(methoxycarbonyl)4-(trifluoromethoxy)phenylaminocarbonyl-,methyl ester,(4as)- ; Indoxacarb (bsi, pa iso, ansi) ; Methyl(s)-7-chloro-2,3,4a,5-tetrahydro-2-[methoxycarbonyl(4-trifluoromethoxyphenyl)carbamoyl]indeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate:indoxacarb .When Indoxacarb (173584-44-6) was heated,it emits toxic vapors of NOx, F−, and Cl− .This chemical should be stored at 0-6℃.