2,3-Dichloroisobutyric acid

Base Information

• Chemical Name: 2,3-Dichloroisobutyric acid
• CAS No.: 10411-52-6
• Molecular Formula: C₄H₆Cl₂O₂
• Molecular Weight: 156.996
• Hs Code.: 2915900090
• European Community (EC) Number: 678-386-0
• NSC Number: 85847
• Nikkaji Number: J149.958K
• Mol file: 10411-52-6.mol

Synonyms:2,3-DICHLOROISOBUTYRIC ACID;10411-52-6;2,3-Dichloro-2-methylpropanoic acid;2,3-Dichloroisobutyrate;2,3-DICHLOROISOBUTYRICACID;Propanoic acid, 2,3-dichloro-2-methyl-;Propionic acid, 2,3-dichloro-2-methyl-;NSC 85847;alpha,beta-Dichloroisobutyric acid;NCIOpen2_001138;2,3-Dichloro-iso-butyric acid;SCHEMBL3226980;LRGIIZXVSULULZ-UHFFFAOYSA-N;NSC85847;MFCD00068279;NSC-85847;Propanoic acid,3-dichloro-2-methyl-;Propionic acid,3-dichloro-2-methyl-;AKOS006230009;alpha , beta -Dichloroisobutyric Acid;.alpha.,.beta.-Dichloroisobutyric acid;2,3-Dichloro-2-methylpropanoic acid #;BS-44023;CS-0321424;D0199;FT-0694532;W18728;Propanoic acid, 2,3-dichloro-2-methyl- (9CI);J-001108

Chemical Property of 2,3-Dichloroisobutyric acid

Chemical Property:

• Vapor Pressure: 0.0374mmHg at 25°C
• Melting Point: 23-24 °C
• Refractive Index: 1.47
• Boiling Point: 222.5°Cat760mmHg
• PKA: 2.29±0.14(Predicted)
• Flash Point: 88.4°C
• PSA: 37.30000
• Density: 1.401g/cm³
• LogP: 1.30730
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 155.9744848
• Heavy Atom Count: 8
• Complexity: 104

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,3-Dichloroisobutyric Acid ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCl)(C(=O)O)Cl

Technology Process of 2,3-Dichloroisobutyric acid

There total 7 articles about 2,3-Dichloroisobutyric 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: 81.3%

poly(methacrylic acid) (79-41-4,25087-26-7,50867-57-7) → 2,3-dichloro-2-methylpropionic acid (10411-52-6,88656-49-9,88656-50-2)

Guidance literature:

With chlorine; tin(IV) chloride; In tetrachloromethane; at 20 ℃; Reagent/catalyst; Green chemistry;

Reference yield: 72.1%

sodium methacrylate (5536-61-8) → 2,3-dichloro-2-methylpropionic acid (10411-52-6,88656-49-9,88656-50-2)

Guidance literature:

With iron(III) chloride; chlorine; In tetrachloromethane; at 20 ℃; Green chemistry;

Reference yield:

1,1,1,3-tetrachloro-2-methyl-propan-2-ol (14703-48-1) → 2,3-dichloro-2-methylpropionic acid (10411-52-6,88656-49-9,88656-50-2)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01496a067

upstream raw materials:

poly(methacrylic acid)

methyl 2,3-dichloro-2-methylpropanoate

1,1,1,3-tetrachloro-2-methyl-propan-2-ol

3,4-Dichlor-3-methyl-1-buten

Refernces

• 1、 -. "1,2,3-Thiadiazole-3-in-5-ylidene-urea derivatives, process for making the same and compositions containing the same having growth regulating activity for plants". . . Retrieved 2008/06/13.