(2-Bromoethyl)-phosphonic acid

• CAS: 999-82-6
• Catalog Number: ACM999826
• Category: Bromine Series
• Molecular Weight: 188.95g/mol
• Molecular Formula: C2H6BrO3P
• Synonyms: 2-BROMOETHYLPHOSPHONIC ACID;2-Bromoethylphosphonic acid, 98 %
• IUPAC Name: 2-bromoethylphosphonic acid
• Canonical SMILES: C(CBr)P(=O)(O)O
• InChI: InChI=1S/C2H6BrO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)
• InChI Key: BFKXVERGWXHHIH-UHFFFAOYSA-N
• Complexity: 86.9
• Covalently-Bonded Unit Count: 1
• Exact Mass: 187.92379g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 7
• Monoisotopic Mass: 187.92379g/mol
• Rotatable Bond Count: 2
• XLogP3: -0.8

Custom Q&A

What is the molecular formula of (2-Bromoethyl)-phosphonic acid?

The molecular formula of (2-Bromoethyl)-phosphonic acid is C2H6BrO3P.

When was the structure of (2-Bromoethyl)-phosphonic acid created and modified?

The structure was created on 2005-09-09 and modified on 2023-12-02.

What is the IUPAC name of (2-Bromoethyl)-phosphonic acid?

The IUPAC name is 2-bromoethylphosphonic acid.

What is the InChIKey of (2-Bromoethyl)-phosphonic acid?

The InChIKey is BFKXVERGWXHHIH-UHFFFAOYSA-N.

How many hydrogen bond donor counts does (2-Bromoethyl)-phosphonic acid have?

It has 2 hydrogen bond donor counts.

What is the topological polar surface area of (2-Bromoethyl)-phosphonic acid?

The topological polar surface area is 57.5Ų.

Does (2-Bromoethyl)-phosphonic acid have any defined atom stereocenter count?

No, it has 0 defined atom stereocenter counts.

What is the covalently-bonded unit count of (2-Bromoethyl)-phosphonic acid?

The covalently-bonded unit count is 1.

What is the molecular weight of (2-Bromoethyl)-phosphonic acid?

The molecular weight is 188.95 g/mol.

Is (2-Bromoethyl)-phosphonic acid canonicalized?

Yes, it is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 5324-30-1

• 999-82-6

Reference: [1] Synthesis, 2001, # 4, p. 553 - 554
[2] Journal of the American Chemical Society, 1965, vol. 87, p. 679 - 680
[3] Synthetic Communications, 2003, vol. 33, # 21, p. 3781 - 3788

Upstream Synthesis Route 2

• 69310-54-9

• 999-82-6

Reference: [1] Tetrahedron Letters, 1988, vol. 29, # 10, p. 1199 - 1202
[2] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1980, p. 1150 - 1153

Upstream Synthesis Route 3

• 19247-79-1

• 999-82-6

Reference: [1] Journal of Organic Chemistry, 1966, vol. 31, p. 3804 - 3806

Upstream Synthesis Route 4

• 28482-01-1

• 999-82-6

Reference: [1]Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya,1947,p. 389,394
Chem.Abstr.,1948,p. 1558

Upstream Synthesis Route 5

• 5324-30-1

• 999-82-6

Reference: [1]Synthesis,2001,p. 553 - 554
[2]Journal of the American Chemical Society,1965,vol. 87,p. 679 - 680
[3]Synthetic Communications,2003,vol. 33,p. 3781 - 3788

Upstream Synthesis Route 6

• 19247-79-1

• 999-82-6

Reference: [1]Journal of Organic Chemistry,1966,vol. 31,p. 3804 - 3806