Tris(2-carboxyethyl)phosphine Hydrochloride

• CAS: 51805-45-9
• Catalog Number: ACM51805459
• Category: Main Products
• Molecular Weight: 286.645g/mol
• Molecular Formula: C6H12Cl3O4P;C9H16ClO6P
• Synonyms: Tris(2-carboxyethyl)phosphine hydrochloride, 0.5M solution in water; Tris(2-carboxyethyl)phosphine hydrochloride solution, 0.5 M, pH 7.0(aqueous solution; PBVAJRFEEOIAGW-UHFFFAOYSA-N; Tris(2-carboxyethyl)phosphine hydrochloride, powder, >=98%; FT-0657850; AB0031602; Tris(2-carboxyethyl)phosphine, HCl; ACMC-209kw4; X4741; SC-90729
• IUPAC Name: 3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;hydrochloride
• Canonical SMILES: C(CP(CCC(=O)O)CCC(=O)O)C(=O)O.Cl
• InChI: InChI=1S/C9H15O6P.ClH/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15;/h1-6H2,(H,10,11)(H,12,13)(H,14,15);1H
• InChI Key: PBVAJRFEEOIAGW-UHFFFAOYSA-N
• Melting Point: -51 °C
• Density: Relative density (water = 1): 1.4
• Solubility: Solubility in water, g/100ml at 20 °C: 0.78 (very poor)
• Application: Biochemical tool for selective reduction of disulfide bridges at low pH; reductant for redox assays.
• Storage: 2-8°C
• Complexity: 222
• Covalently-Bonded Unit Count: 2
• Exact Mass: 286.037g/mol
• H-Bond Acceptor: 6
• H-Bond Donor: 4
• Heavy Atom Count: 17
• ICSC Number: 1677
• Monoisotopic Mass: 286.037g/mol
• Octanol Water Partition Coefficient: 1.78
• Physical Description: COLOURLESS-TO-YELLOW LIQUID.
• Rotatable Bond Count: 9
• Topological Polar Surface Area: 112A^2
• UNII: H49AAM893K
• UN Number: 3082
• Vapor Pressure: negligible

Custom Q&A

What is the molecular formula of Tris(2-carboxyethyl)phosphine hydrochloride?

The molecular formula is C9H16ClO6P.

What are some synonyms for Tris(2-carboxyethyl)phosphine hydrochloride?

Some synonyms include TCEP Hydrochloride, Tris(2-carboxyethyl)phosphine, HCl, and TCEP (hydrochloride).

What is the CAS number of Tris(2-carboxyethyl)phosphine hydrochloride?

The CAS number is 51805-45-9.

What is the IUPAC name of Tris(2-carboxyethyl)phosphine hydrochloride?

The IUPAC name is 3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;hydrochloride.

What is the InChIKey of Tris(2-carboxyethyl)phosphine hydrochloride?

The InChIKey is PBVAJRFEEOIAGW-UHFFFAOYSA-N.

What is the molecular weight of Tris(2-carboxyethyl)phosphine hydrochloride?

The molecular weight is 286.64g/mol.

How many hydrogen bond donor counts does Tris(2-carboxyethyl)phosphine hydrochloride have?

It has 4 hydrogen bond donor counts.

What is the European Community (EC) number for Tris(2-carboxyethyl)phosphine hydrochloride?

The EC number is 629-759-1.

What is the Wikidata entry for Tris(2-carboxyethyl)phosphine hydrochloride?

The Wikidata entry is Q27279627.

What is the computed descriptor for Tris(2-carboxyethyl)phosphine hydrochloride?

The computed descriptor is C(CP(CCC(=O)O)CCC(=O)O)C(=O)O.Cl.

Synthetic Use

Upstream Synthesis Route 1

• 67991-12-2

• 51805-45-9

Reference: [1] Patent: CN103232487, 2016, B, . Location in patent: Paragraph 0040; 0041

Upstream Synthesis Route 2

• 4023-53-4

• 51805-45-9

Reference: [1] Journal of Organic Chemistry, 1991, vol. 56, # 8, p. 2648 - 2650

Downstream Synthesis Route 1

• 67-56-1
• 51805-45-9

• 29269-17-8

Reference: [1] Patent: WO2015/28850, 2015, A1, . Location in patent: Page/Page column 81

Downstream Synthesis Route 2

• 51805-45-9

• 5962-40-3

Reference: [1]Royappa, A. Timothy; Rheingold, Arnold L.; Teuchtler, Wendy C.; Auld, Niccole L.
[Journal of Molecular Structure, 2020, vol. 1202]
[2]Burns, John A.; Butler, James C.; Moran, John; Whitesides, George M.
[Journal of Organic Chemistry, 1991, vol. 56, # 8, p. 2648 - 2650]
[3]Shi, Yanhong; Tian, Hongwu; Xia, Yanqing; Sun, Ying; Zhou, Zongyi; Ren, Yanbiao; Shi, Tiesheng; Liu, Zhong; Ma, Gang
[Journal of Molecular Liquids, 2023, vol. 370]

Downstream Synthesis Route 3

• 67-56-1
• 51805-45-9

• 29269-17-8

Reference: [1]Patent: WO2015/28850,2015,A1 .Location in patent: Page/Page column 81

* For details of the synthesis route, please refer to the original source to ensure accuracy.