Hexamethylenetetramine
SIAL/33233 - puriss. p.a., reag. Ph. Eur., ≥99.5% (calc. to the dried substance)
Synonym: 1,3,5,7-
CAS Number: 100-97-0
Empirical Formula (Hill Notation): C6H12N4
Molecular Weight: 140.19
EC Number: 202-905-8
MDL Number: MFCD00006895
Linear Formula: C6H12N4
Product Type: Chemical
| agency | reag. Ph. Eur. |
| USP/NF | |
| anion traces | chloride (Cl-): ≤20 mg/kg |
| sulfate (SO42-): ≤50 mg/kg | |
| assay | ≥99.5% (calc. to the dried substance) |
| autoignition temp. | 770 °F |
| form | solid |
| grade | puriss. p.a. |
| ign. residue | ≤0.01% (as SO4) |
| impurities | ≤0.001% heavy metals (as Pb) |
| ≤0.01% ammonium (NH4) | |
| InChI | 1S/C6H12N4/c1-7-2-9-4-8(1 |
| InChI key | VKYKSIONXSXAKP-UHFFFAOYSA |
| mp | 280 °C (subl.) (lit.) |
| pH | 8.5-9.5 (20 °C, 10%) |
| Quality Level | 100  |
| SMILES string | C1N2CN3CN1CN(C2)C3 |
| solubility | H2O: soluble |
| vapor pressure | <0.01 mmHg ( 20 °C) |
| Application: | Hexamethylenetetramine may be used as reagent in the synthesis of 3 and 5-aldehydo salicylic acid, and 2-hydroxy naphthaldehyde, via reaction with salicylic acid and β-naphthol respectively, followed by the treatment with HCl (hydrolysis). It may be used for the synthesis of phenolic aldehydes. It may be used as formylating reagent for the synthesis of various aldehydes. It has been used for the preparation of ceria nanoparticles, via precipitation method. |
| General description: | Hexamethylenetetramine is a hexamine. It participates in Duff reaction for the synthesis of o-hydroxybenzaldehyde derivatives. |
| Symbol |   GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H228 - H317 |
| Precautionary statements | P210 - P280 - P302 + P352 |
| Hazard Codes | F,Xi |
| Risk Statements | 11-43 |
| Safety Statements | 24-37 |
| RIDADR | UN1328 - class 4.1 - PG 3 - Hexamethylenetetramine |
| WGK Germany | WGK 1 |
| Flash Point(F) | 482.0 °F - closed cup |
| Flash Point(C) | 250 °C - closed cup |
| Purity | ≥99.5% (calc. to the dried substance) |
| mp | 280 °C (subl.) (lit.) |
| UNSPSC | 12352100 |