(3-Bromopropyl)triphenylphosphonium bromide

• CAS: 3607-17-8
• Catalog Number: ACM3607178-2
• Category: Other Organic Phosphine Compounds
• Molecular Weight: 464.18
• Molecular Formula: C21H21Br2P
• Synonyms: I01-9357; 3-bromopropyl(triphenyl)phosphonium bromide; NSC84074; MFCD00011866; (3-Bromo-propyl)-triphenyl-phosphonium bromide; 3-(Bromopropyl)triphenylphosphonium; EINECS 222-770-9; Bromo(3-bromopropyl)triphenylphosphorus; FT-0604703; Acm³607178
• IUPAC Name: 3-bromopropyl(triphenyl)phosphanium;bromide
• SMILES: C1=CC=C(C=C1)[P+](CCCBr)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• InChI: InChI=1S/C21H21BrP.BrH/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;1H/q+1;/p-1
• InChI Key: ZAHUZZUGJRPGKW-UHFFFAOYSA-M
• Boiling Point: 228-230°C (lit.)
• Melting Point: 228-230 °C(lit.)
• Appearance: Solid
• Application: (3-Bromopropyl)triphenylphosphonium Bromide is used in rearrangement reactions of cyclic organic molecules and in organic synthesis.
• Storage: Store below 30°C.
• Complexity: 279
• Covalently-Bonded Unit Count: 2
• EC Number: 222-770-9
• Exact Mass: 463.973g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 24
• Isomeric SMILES: C1=CC=C(C=C1)[P+](CCCBr)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• Monoisotopic Mass: 461.975g/mol
• NSC Number: 84074
• Physical State: Solid
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of (3-Bromopropyl)triphenylphosphonium bromide?

The molecular formula of (3-Bromopropyl)triphenylphosphonium bromide is C21H21Br2P.

What is the molecular weight of (3-Bromopropyl)triphenylphosphonium bromide?

The molecular weight of (3-Bromopropyl)triphenylphosphonium bromide is 464.2 g/mol.

What are some synonyms for (3-Bromopropyl)triphenylphosphonium bromide?

Some synonyms for (3-Bromopropyl)triphenylphosphonium bromide include 3607-17-8, 3-Bromopropyltriphenylphosphonium Bromide, and NSC 84074.

What is the IUPAC name of (3-Bromopropyl)triphenylphosphonium bromide?

The IUPAC name of (3-Bromopropyl)triphenylphosphonium bromide is 3-bromopropyl(triphenyl)phosphanium;bromide.

What is the InChIKey of (3-Bromopropyl)triphenylphosphonium bromide?

The InChIKey of (3-Bromopropyl)triphenylphosphonium bromide is ZAHUZZUGJRPGKW-UHFFFAOYSA-M.

What is the canonical SMILES representation of (3-Bromopropyl)triphenylphosphonium bromide?

The canonical SMILES representation of (3-Bromopropyl)triphenylphosphonium bromide is C1=CC=C(C=C1)[P+](CCCBr)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-].

What is the CAS number for (3-Bromopropyl)triphenylphosphonium bromide?

The CAS number for (3-Bromopropyl)triphenylphosphonium bromide is 3607-17-8.

What is the hydrogen bond acceptor count of (3-Bromopropyl)triphenylphosphonium bromide?

The hydrogen bond acceptor count of (3-Bromopropyl)triphenylphosphonium bromide is 1.

How many rotatable bonds are there in (3-Bromopropyl)triphenylphosphonium bromide?

There are 6 rotatable bonds in (3-Bromopropyl)triphenylphosphonium bromide.

Is the compound canonicalized?

Yes, the compound is canonicalized.