Iron(III) chloride hexahydrate
SIGALD/44944 - puriss. p.a., ACS reagent, crystallized, 98.0-102% (RT)
Synonym: Ferric chloride hexahydrate
CAS Number: 10025-77-1
Empirical Formula (Hill Notation): Cl3Fe · 6H2O
Molecular Weight: 270.30
EC Number: 231-729-4
MDL Number: MFCD00149712
Linear Formula: FeCl3 · 6H2O
Product Type: Chemical
anion traces | nitrate (NO3-): ≤100 mg/kg |
sulfate (SO42-): ≤50 mg/kg | |
assay | 98.0-102% (RT) |
bp | 280-285 °C (lit.) |
cation traces | As: ≤5 mg/kg |
Ca: ≤50 mg/kg | |
Cd: ≤10 mg/kg | |
Co: ≤50 mg/kg | |
Cr: ≤100 mg/kg | |
Cu: ≤20 mg/kg | |
Fe2+: ≤20 mg/kg | |
K: ≤50 mg/kg | |
Mg: ≤10 mg/kg | |
Mn: ≤1000 mg/kg | |
Na: ≤100 mg/kg | |
Ni: ≤50 mg/kg | |
Pb: ≤20 mg/kg | |
Zn: ≤20 mg/kg | |
form | crystals or chunks |
grade | ACS reagent |
puriss. p.a. | |
impurities | ≤0.001% total nitrogen (N) |
≤0.002% free chlorine (Cl) | |
≤0.01% phosphorous compounds (as PO4) | |
InChI | 1S/3ClH.Fe.6H2O/h3*1H;;6* |
InChI key | NQXWGWZJXJUMQB-UHFFFAOYSA |
mp | 37 °C (lit.) |
quality | crystallized |
Quality Level | 200 |
SMILES string | O.O.O.O.O.O.Cl[Fe](Cl)Cl |
vapor pressure | 1 mmHg ( 194 °C) |
Application: | Iron(III) chloride hexahydrate (FeCl3.6H2O) may be employed as an oxidant for the following conversions: • Synthesis of 2-substituted 4(3H)-quinazolinones (yield = 77-93%). • Oxidation of 1,4-dihydropyridines (1,4-DHPs) to corresponding pyridines. • Oxidation of 4-isopropyl-1,4-DHP to dealkylated pyridine. |
General description: | Iron(III) chloride hexahydrate can be obtained from crystallization of iron(III) chloride from water. Three-dimensional single-crystal X-ray-diffraction studies of its crystal structure suggest its crystals are monoclinic and C2h3-2/m space group. |
Symbol | GHS05,GHS07 |
Signal word | Danger |
Hazard statements | H290 - H302 - H315 - H318 |
Precautionary statements | P234 - P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338 |
Hazard Codes | Xn |
Risk Statements | 22-38-41 |
Safety Statements | 26-39 |
RIDADR | UN 3260 8 / PGIII |
WGK Germany | WGK 1 |
Flash Point(F) | Not applicable |
Flash Point(C) | Not applicable |
Purity | 98.0-102% (RT) |
bp | 280-285 °C (lit.) |
mp | 37 °C (lit.) |
UNSPSC | 12352300 |