CAS 115-28-6 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid

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Self Assembly and Lithography

1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid

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Catalog Number

ACM115286-1

Product Name

1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid

Structure

CAS

115-28-6

Category

Self Assembly and Lithography

Synonyms

1,2,3,4,7,7-Hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid,Hexachloroendomethylenetetrahydrophthalic acid

Description

Chlorendic acid appears as fine white free-flowing crystals or white powder. Odorless. (NTP, 1992)

IUPAC Name

1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

Molecular Weight

388.8g/mol

Molecular Formula

C9H4Cl6O4

Canonical SMILES

OC(=O)C1C(C(O)=O)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl

InChI

1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)/t1?,2?,7-,8+

InChI Key

DJKGDNKYTKCJKD-SBUZQEQSSA-N

Melting Point

239-242 °C (lit.)

Density

0.95 (NTP, 1992)

Solubility

less than 1 mg/mL at 70° F (NTP, 1992);0.01 M;Slightly soluble in nonpolar organic solvents (e.g., benzene); readily soluble in methanol, ethanol and acetone;In water, 0.35 g/100 g @ 25 °C

Storage

room temp

Color/Form

Crystalline solid

Complexity

487

Covalently-Bonded Unit Count

EC Number

204-078-9

Exact Mass

387.821125g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow= 2.30

MDL Number

MFCD00167589

MeSH Entry Terms

chlorendic acid;chlorendic acid, (endo,endo)-isomer

Monoisotopic Mass

385.824075g/mol

NSC Number

41876;22231;519

Other Experimental

Loses water in a heated open system to give the anhydride; emits chlorine when heated to decomposition.;Melting point: decomposes to the anhydride.;Henry's Law constant=3.0X10-14 atm-cu m/mole @ 25 °C /Estimated/;Hydroxyl radical rate constant=8.2X10-12 cu cm/molecule-sec @ 25 °C /Estimated/

Packaging

10 g in glass bottle

Rotatable Bond Count

Stability

The acid loses water in a heated open system, tends to discolor and forms the anhydride, which melts at 230-235 °C. ...Chlorendic acid is very resistant to hydrolytic dechlorination... .

Vapor Pressure

1.4X10-8 mm Hg @ 25 °C /Estimated/

XLogP3

MSDS

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COA

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Spec Sheet

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