trichloroindigane hydrate

• ChemBase ID: 151993
• Molecular Formular: Cl3H2InO
• Molecular Mass: 239.19228
• Monoisotopic Mass: 237.82100072
• SMILES: O.Cl[In](Cl)Cl
• Canonical SMILES: Cl[In](Cl)Cl.O
• InChI: InChI=1S/3ClH.In.H2O/h3*1H;;1H2/q;;;+3;/p-3
• InChIKey: KYCHGXYBBUEKJK-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloroindigane hydrate
• IUPAC Traditional name: indium(III) chloride hydrate
• Synonyms: Trichloroindium; indium trichloride; Indium(III) chloride hydrate; 三氯化铟 水合物

Database IDs

• CAS Number: 10025-82-8
• EC Number: 233-043-0
• MDL Number: MFCD00149744
• PubChem SID: 24880607; 162246139
• PubChem CID: 16212116

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9035
• LogD (pH = 7.4): 1.9035
• Log P: 1.9035
• Molar Refractivity: 18.4089 cm^3
• Polarizability: 12.153513 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: NL1400000
• European Hazard Symbols: Corrosive (C)
• UN Number: 3260
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3260 8/PG 2

Product Information

• Purity: ~39% indium basis
• Impurities: 2-3 mol/mol water
• Linear Formula: InCl3 · aq

DETAILS

Sigma Aldrich - 57110

Application
Reagent/catalyst for various organic transformations, e.g. allylation of aldehydes, ketones, and quinones; Diels-Alder reaction; the aldol reaction; Michael additions; the reductive Friedel-Crafts;
Packaging
10, 50 g in glass bottle