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 | 12352302 |