Tetraheptylammonium bromide

• CAS: 4368-51-8
• Catalog Number: ACM4368518
• Category: Organic Phosphine Compounds
• Molecular Weight: 490.69
• Molecular Formula: C28H60BrN
• Description: Tetraheptylammonium bromide is a quaternary ammonium compound (QAC) mainly used as a phase-transfer agent.
• Synonyms: Tetra-n-heptylammoniumbromide
• IUPAC Name: tetraheptylazanium;bromide
• Canonical SMILES: CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[Br-]
• InChI: InChI=1S/C28H60N.BrH/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1
• InChI Key: YQIVQBMEBZGFBY-UHFFFAOYSA-M
• Melting Point: 89 - 91°C
• Flash Point: Not applicable
• Solubility: soluble in Methanol
• Appearance: White/ off white flakes or crystals
• Application: Tetraheptylammonium Bromide is a catalyst in organic polymer synthesis involving redox-active crystals of polymetalate. Reagent used in the preparation of ionic liquids as novel quartz collectors.
• Storage: Ambient
• Complexity: 237
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 0
• EC Number: 224-459-3
• Exact Mass: 489.39091
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 1
• Heavy Atom Count: 30
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[Br-]
• MDL Number: MFCD00011861
• Monoisotopic Mass: 489.39091
• Physical State: Flakes
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Refractive Index: n20/D 1.439
• Rotatable Bond Count: 24
• Signal Word: Warning
• Solubility In Water: acetonitrile: 0.1 g/mL, clear, colorless
• Specific Gravity: 1.32
• Storage Conditions: Room temperature
• Topological Polar Surface Area: 0 Ų

Custom Q&A

What is the PubChem CID of Tetraheptylammonium Bromide?

The PubChem CID of Tetraheptylammonium Bromide is 78073.

What is the molecular formula of Tetraheptylammonium Bromide?

The molecular formula of Tetraheptylammonium Bromide is C28H60BrN.

What is the molecular weight of Tetraheptylammonium Bromide?

The molecular weight of Tetraheptylammonium Bromide is 490.7 g/mol.

What is the IUPAC name of Tetraheptylammonium Bromide?

The IUPAC name of Tetraheptylammonium Bromide is tetraheptylazanium;bromide.

What is the InChI of Tetraheptylammonium Bromide?

The InChI of Tetraheptylammonium Bromide is InChI=1S/C28H60N.BrH/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1.

What is the InChIKey of Tetraheptylammonium Bromide?

The InChIKey of Tetraheptylammonium Bromide is YQIVQBMEBZGFBY-UHFFFAOYSA-M.

What is the canonical SMILES of Tetraheptylammonium Bromide?

The canonical SMILES of Tetraheptylammonium Bromide is CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[Br-].

What is the CAS number of Tetraheptylammonium Bromide?

The CAS number of Tetraheptylammonium Bromide is 4368-51-8.

What is the European Community (EC) number of Tetraheptylammonium Bromide?

The European Community (EC) number of Tetraheptylammonium Bromide is 224-459-3.

What is the hydrogen bond donor count of Tetraheptylammonium Bromide?

The hydrogen bond donor count of Tetraheptylammonium Bromide is 0.