Trimesoyl chloride

C₉H₃Cl₃O₃CAS 4422-95-1265.47 g/mol

Open in Covalent MOL file

Acyl halide

Properties

Molecular formula: C₉H₃Cl₃O₃
Molar mass: 265.47 g/mol
Exact mass: 263.9148 Da
Melting point: 36.3 °C
Boiling point: 175–176 °C (at 15 Torr)
logP: 2.82Crippen estimate
Polar surface area: 51.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Danger

H290 May be corrosive to metals56.4% of notifiers
H302 Harmful if swallowed35.5% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage58.2% of notifiers

Aggregated from 110 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, P501

Identifiers

CAS number

4422-95-1

SMILES

O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)Cl)c1

InChIKey

UWCPYKQBIPYOLX-UHFFFAOYSA-N

InChI

InChI=1S/C9H3Cl3O3/c10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15/h1-3H

Weigh it out

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

Names and synonyms

12 names

1,3,5-Benzenetricarbonyl trichloride
1,3,5-Benzenetricarbonyl chloride
Trimesic acid trichloride
1,3,5-Benzenetricarboxylic acid chloride
1,3,5-Benzenetricarboxylic chloride
1,3,5-Tris(chlorocarbonyl)benzene
Trimesoyl trichloride
1,3,5-Tris(chloroformyl)benzene
Trimesinic acid trichloride
NSC 82328
1,3,5-Trimesoyl chloride
Trimesic acid chloride

Work with Trimesoyl 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

Isophthaloyl chloride99-63-870 % similar Terephthaloyl chloride100-20-967 % similar 3,5-Dichlorobenzoyl chloride2905-62-667 % similar 3,5-Difluorobenzoyl chloride129714-97-264 % similar 3,5-Dimethylbenzoyl chloride6613-44-164 % similar 4,4′-Biphenyldicarbonyl chloride2351-37-357 % similar Benzoyl chloride98-88-457 % similar 3,5-Dimethoxybenzoyl chloride17213-57-956 % similar

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

Elsewhere

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