chempirical

Trimellitic anhydride chloride

C9H3ClO4CAS 1204-28-0210.57 g/mol

Open in Covalent MOL file
OClOOO
Acid anhydrideAcyl halide

Properties

Molecular formula
C9H3ClO4
Molar mass
210.57 g/mol
Exact mass
209.9720 Da
Melting point
68 °C
Boiling point
162–164 °C (at 1 Torr)
logP
1.38Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
1204-28-0
SMILES
O=C(Cl)c1ccc2c(c1)C(=O)OC2=O
InChIKey
NJMOHBDCGXJLNJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H3ClO4/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H

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Names and synonyms

16 names · show all
  • 5-Isobenzofurancarbonyl chloride, 1,3-dihydro-1,3-dioxo-
  • Phthalic anhydride, 4-(chloroformyl)-
  • 1,3-Dihydro-1,3-dioxo-5-isobenzofurancarbonyl chloride
  • Trimellitic anhydride monoacid chloride
  • 4-(Chloroformyl)phthalic anhydride
  • Trimellitic anhydride acid chloride
  • 4-(Chlorocarbonyl)phthalic anhydride
  • Trimellitic acid anhydride 4-monoacid chloride
  • 1,3-Benzofurandione-5-carbonyl chloride
  • Trimellitic acid anhydride chloride
  • Anhydrotrimellitic acid chloride
  • Trimellitic anhydride monochloride
  • 1,3-Dioxo-1,3-dihydro-2-benzofuran-5-carbonyl chloride
  • NSC 89728
  • 1,3-Dioxo-2-benzofuran-5-carbonyl chloride
  • 1,3-Dioxo-1,3-dihydro-isobenzofuran-5-carbonyl chloride

Work with Trimellitic anhydride chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzophenonetetracarboxylic dianhydride2421-28-565 % similar Ethylene glycol bis(anhydrotrimellitate)1732-96-359 % similar Trimellitic anhydride552-30-759 % similar Bpda2420-87-355 % similar 4-Chlorophthalic anhydride118-45-655 % similar 4,4′-Oxydiphthalic anhydride1823-59-252 % similar Terephthaloyl chloride100-20-950 % similar 4-Methylphthalic anhydride19438-61-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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