2,3-Dibromopropionic acid

Base Information

• Chemical Name: 2,3-Dibromopropionic acid
• CAS No.: 600-05-5
• Deprecated CAS: 127700-69-0
• Molecular Formula: C3H4Br2O2
• Molecular Weight: 231.872
• Hs Code.: 29159000
• European Community (EC) Number: 209-981-1
• NSC Number: 175
• UNII: 2IIC1DOY4I
• DSSTox Substance ID: DTXSID3032832
• Nikkaji Number: J2.724C
• Wikidata: Q27254788
• ChEMBL ID: CHEMBL1399151
• Mol file: 600-05-5.mol

Synonyms:2,3-DIBROMOPROPIONIC ACID;600-05-5;2,3-Dibromopropanoic acid;Propanoic acid, 2,3-dibromo-;Propionic acid, 2,3-dibromo-;alpha,beta-Dibromopropionic acid;C3H4Br2O2;NSC 175;EINECS 209-981-1;UNII-2IIC1DOY4I;2IIC1DOY4I;.alpha.,.beta.-Dibromopropionic acid;BRN 1721428;AI3-32762;DTXSID3032832;NSC-175;4-02-00-00767 (Beilstein Handbook Reference);2,3-Dibromopropionicacid;Propanoic acid,3-dibromo-;Propionic acid,3-dibromo-;2,3-dibromo-propanoic acid;2,3-dibromo-propionic acid;MLS001065610;SCHEMBL511965;NSC175;C3-H4-Br2-O2;CHEMBL1399151;DTXCID1012832;2,3-Dibromopropionic acid, 98%;Butyl triphenyl phosphonium bromide;HMS3039J08;Tox21_200140;MFCD00004212;AKOS009031445;CS-W021482;NCGC00091481-01;NCGC00091481-02;NCGC00257694-01;AS-10811;BP-30119;CAS-600-05-5;SMR000568462;(+/-)-2,3-DIBROMOPROPIONIC ACID;LS-124613;AM20100466;D1383;FT-0609526;EN300-19715;O10565;PROPIONIC ACID, .ALPHA.,.BETA.-DIBROMO-;W-105286;Q27254788;F1905-6991

Chemical Property of 2,3-Dibromopropionic acid

Chemical Property:

• Appearance/Colour: white to beige-grey crystalline powder or chunks
• Vapor Pressure: 0.00179mmHg at 25°C
• Melting Point: 63-66 °C
• Refractive Index: 1.5220 (estimate)
• Boiling Point: 271.6 °C at 760 mmHg
• PKA: pK1:2.33 (25°C)
• Flash Point: 118.1 °C
• PSA: 37.30000
• Density: 2.332 g/cm³
• LogP: 1.22940
• Storage Temp.: 2-8°C
• Water Solubility.: very faint turbidity
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 231.85576
• Heavy Atom Count: 7
• Complexity: 73.3

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dibromopropionic Acid >97.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi,F
• Statements: 34-40-36/37/38-38-11
• Safety Statements: 26-36/37/39-45-36-16-24-9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C(C(C(=O)O)Br)Br
• Uses: 2,3-Dibromopropionic acid may be used as a surrogate standard for the quantification of haloacids in water samples using gas chromatography technique. 2,3-Dibromopropionic acid was used in chemical shift imaging during analysis of multiple samples by multiplex sample NMR methodology. It was used as surrogate standard during extraction and determination of haloacetic acid in drinking water.

Technology Process of 2,3-Dibromopropionic acid

There total 23 articles about 2,3-Dibromopropionic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

acrylic acid (79-10-7) → 2,3-dibromopropionic acid (600-05-5)

Guidance literature:

With bromine; In tetrachloromethane;

DOI:10.1002/jlcr.1185

Reference yield: 72.0%

2-methyl-3-(trimethylgermyl)propanoic acid (107790-74-9) → 2,3-dibromopropionic acid (600-05-5)

Guidance literature:

With bromine; In tetrachloromethane; dropwise addn. of excess of Br2 to a stirred soln. of Ge-compd. at 0°C under N2, stirring for 5 h; evapn. to dryness and then chromy.;

DOI:10.1016/0022-328X(90)87287-N

Reference yield: 39.0%

2-methyl-3-(trimethylgermyl)propanoic acid (107790-74-9) → 2-methyl-3-(bromodimethylgermyl)butanoic acid (107790-84-1) + 2,3-dibromopropionic acid (600-05-5)

Guidance literature:

With bromine; In tetrachloromethane; dropwise addn. of Br2 in CCl4 to a stirred soln. of Ge-compd. at 0°C under N2, stirring for 1 h, then warming to room temp.; evapn. to dryness, recrystn. from hexane or liquid chromy. by medium pressure with hexane/ethylacetate, elem. anal.;

DOI:10.1016/0022-328X(90)87287-N

upstream raw materials:

2,3-dibromopropanal

2,3-Dibromopropan-1-ol

2-bromo-2-propenoic acid

2,2-dibromopropionic acid

Downstream raw materials:

2,3-dibromo-propionic acid cyclohexyl ester

(+/-)-N-benzyl aziridine carboxylate t-butyl ester

rac-cysteine

glyceric acid

Refernces

• 1、 Postolache, Cristian,Matei, Lidia. "Synthesis of (α-T)polyacrylic acid". . p. 444 - 445. Retrieved 2008/02/08.
• 2、 Yu, Yueh-O.,Jwo, Jing-Jer. "Kinetic study of the Ce(III)-, Mn(II)-, or ferroin-catalyzed belousov-zhabotinsky reaction with allylmalonic acid". . p. 433 - 439. Retrieved 2007/10/03.