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7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid (145-73-3)

Identification
Name:7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid
Synonyms:1,2-Benzenedicarboxylicacid, hexahydro-3,6-endo-oxy-; 1,2-Cyclohexanedicarboxylic acid,3,6-endo-epoxy-; 3,6-Endooxyphthalic acid, hexahydro-; Aquathol; Aquothol;Endothall; Herbon pennout; Hydout; Hydrothol; NSC 112771
CAS:145-73-3
EINECS: 205-660-5
Molecular Formula: C8H10 O5
Molecular Weight: 186.18
InChI: InChI=1/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)
Molecular Structure: (C8H10O5) 1,2-Benzenedicarboxylicacid, hexahydro-3,6-endo-oxy-; 1,2-Cyclohexanedicarboxylic acid,3,6-endo-epox...
Properties
Transport:UN 2811 6.1/PG 2
Flash Point: 190.5°C
Density:1.431
Refractive index:1.568
Water Solubility:100,000 mg l-1
Solubility:100,000mgl-1
Specification:

The Endothal , its cas register number is 145-73-3. The IPUAC name about this chemicals is 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid .The enthalpy of vaporization about it is 77.41 kJ/mol, vapour pressure is 2.88E-09 mmHg at 25 °C . Classification code about this chemicals are Agricultural Chemical , Herbicide , Human Data .

The Endothal is a is in the form of colorless crystals, have on corrosive, but is a toxic chemicals . It can be used as a selective herbicide. It is harmful in contact with skin and it's toxic if swallowed, it is also irritating to eyes, respiratory system and skin. So if we use it, we need to wear suitable protective clothing, gloves and eye/face protection, In case of accident or if you feel unwell, you should seek medical advice immediately.

This chemicals can be described computed from structure:
1) SMILES: C1CC2C(C(C1O2)C(=O)O)C(=O)O
2) InChI: InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)

The most important thing about Endothal is the toxicity, following is the form:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man LDLo oral 571uL/kg (0.571mL/kg) CARDIAC: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED
American Journal of Emergency Medicine. Vol. 6, Pg. 509, 1988.
mouse LD50 intraperitoneal 14mg/kg (14mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 35, Pg. 823, 1987.
rat LD50 oral 38mg/kg (38mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 471, 1966.
rat LD50 skin > 1gm/kg (1000mg/kg)   Fundamental and Applied Toxicology. Vol. 7, Pg. 299, 1986.

Packinggroup: II
Flash Point: 190.5°C
Color: Cyrstalline, white solid
Safety Data
 

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