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4412-09-3

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Basic Information
CAS No.: 4412-09-3
Name: Mucochloric anhydride
Molecular Structure:
Molecular Structure of 4412-09-3 (Mucochloric anhydride)
Formula: C8H2 Cl4 O5
Molecular Weight: 319.913
Synonyms: Crotonicacid, 4,4'-oxybis[2,3-dichloro-4-hydroxy-, di-g-lactone (6CI,7CI); GC 2466; Mucochloric anhydride;NSC 14027
Density: 1.88g/cm3
Melting Point: 141-143°; mp 180°
Boiling Point: 498.4°Cat760mmHg
Flash Point: 225.4°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl−.
PSA: 61.83000
LogP: 2.14720
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Chemistry

Molecule structure of Mucochloric anhydride (CAS NO.4412-09-3) :

IUPAC Name: 3,4-dichloro-2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)oxy]-2H-furan-5-one 
Molecular Weight: 319.91048 g/mol
Molecular Formula: C8H2Cl4O5 
Density: 1.88 g/cm3 
Melting Point: 142 deg C
Boiling Point: 498.4 °C at 760 mmHg
Flash Point: 225.4 °C
Index of Refraction: 1.606
Molar Refractivity: 58.65 cm3
Molar Volume: 170 cm3
Polarizability: 23.25*10-24 cm3
Surface Tension: 60.7 dyne/cm 
Enthalpy of Vaporization: 76.65 kJ/mol
Vapour Pressure: 4.56E-10 mmHg at 25 °C 
log P (octanol-water): 1.580 
Atmospheric OH Rate Constant: 2.76E-11 cm3/molecule-sec
XLogP3-AA: 2.7
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Exact Mass: 319.862684
MonoIsotopic Mass: 317.865634
Topological Polar Surface Area: 61.8
Heavy Atom Count: 17
Complexity: 427
Canonical SMILES: C1(C(=C(C(=O)O1)Cl)Cl)OC2C(=C(C(=O)O2)Cl)Cl
InChI: InChI=1S/C8H2Cl4O5/c9-1-3(11)7(15-5(1)13)17-8-4(12)2(10)6(14)16-8/h7-8H
InChIKey of Mucochloric anhydride (CAS NO.4412-09-3) : PESQEUXEQYJQCC-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:2000 mg/kg

     FMCHA2    Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1980,D211.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl−.

Specification

 Mucochloric anhydride (CAS NO.4412-09-3) is also called 5,5'-Oxybis(3,4-dichloro-2(5H)-furanone) ; AI3-18618 ; Bis(3,4-dichloro-2(5)-furanonyl) ether ; Bis(3,4-dichlorofuranon-5-yl-2) ether ; Caswell No. 584A ; Crotonic acid, 4,4'-oxybis(2,3-dichloro-4-hydroxy-, di-gamma-lactone ; EPA Pesticide Chemical Code 584200 ; GC-2466 ; NSC 14027 ; 2(5H)-Furanone, 5,5'-oxybis(3,4-dichloro- . Mucochloric anhydride (CAS NO.4412-09-3) is high toxic. It will produce toxic chlorine gas when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Mucochloric anhydride (CAS NO.4412-09-3) separate from raw materials of food.