chempirical

Terephthaloyl chloride

C8H4Cl2O2CAS 100-20-9203.02 g/mol

Open in Covalent MOL file
OClOCl
Acyl halide

Properties

Molecular formula
C8H4Cl2O2
Molar mass
203.02 g/mol
Exact mass
201.9588 Da
Density
1.32 g/mL
Melting point
82–84 °C
Boiling point
259 °C
Flash point
180 °C
logP
2.44Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)

Aggregated from 2,263 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P403+P233, P405, P501

Identifiers

CAS number
100-20-9
SMILES
O=C(Cl)c1ccc(C(=O)Cl)cc1
InChIKey
LXEJRKJRKIFVNY-UHFFFAOYSA-N
InChI
InChI=1S/C8H4Cl2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

13 names · show all
  • 1,4-Benzenedicarbonyl dichloride
  • Terephthaloyl dichloride
  • p-Phthaloyl chloride
  • Terephthalic acid dichloride
  • p-Phthaloyl dichloride
  • Terephthalic acid chloride
  • Terephthalic dichloride
  • p-Phenylenedicarbonyl dichloride
  • 1,4-Benzenedicarbonyl chloride
  • Benzene 1,4-dicarboxylic acid dichloride
  • 1,4-Bis(chlorocarbonyl)benzene
  • 1,4-Di(chlorocarbonyl)benzene
  • NSC 41885

Work with Terephthaloyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4′-Biphenyldicarbonyl chloride2351-37-383 % similar 4-Chlorobenzoyl chloride122-01-075 % similar Benzoyl chloride98-88-474 % similar 4-Iodobenzoyl chloride1711-02-071 % similar 4-Fluorobenzoyl chloride403-43-071 % similar 4-Bromobenzoyl chloride586-75-471 % similar 4,4′-Oxydibenzoyl chloride7158-32-971 % similar 4-Methylbenzoyl chloride874-60-271 % similar

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

Same formula

Phthaloyl chloride88-95-9 Isophthaloyl chloride99-63-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia