1,2-Dichloro-2-methylpropane

Base Information

• Chemical Name: 1,2-Dichloro-2-methylpropane
• CAS No.: 594-37-6
• Molecular Formula: C4H8Cl2
• Molecular Weight: 127.014
• Hs Code.: 2903190090
• European Community (EC) Number: 209-837-8
• NSC Number: 166449
• DSSTox Substance ID: DTXSID20870661
• Nikkaji Number: J6.773C
• Wikidata: Q81740400
• Mol file: 594-37-6.mol

Synonyms:1,2-Dichloroisobutane;1,2-DICHLORO-2-METHYLPROPANE;594-37-6;Dichloroisobutane;Dichloro-2-methylpropane;Propane, dichloro-2-methyl-;Propane, 1,2-dichloro-2-methyl-;27177-44-2;isobutylyl chloride;C(C)(C)(Cl)CCl;Propane,2-dichloro-2-methyl-;SCHEMBL5654715;1,2-dichloro-2-methyl-propane;DTXSID20870661;MFCD00000817;NSC166449;1,2-bis(chloranyl)-2-methyl-propane;AKOS006220768;CS-O-31773;NSC-166449;AS-49355;LS-119964;CS-0186289;H11156;A832317

Chemical Property of 1,2-Dichloro-2-methylpropane

Chemical Property:

• Vapor Pressure: 32.9mmHg at 25°C
• Melting Point: -70.34°C (estimate)
• Refractive Index: n20/D 1.437(lit.)
• Boiling Point: 106.5 °C at 760 mmHg
• Flash Point: 15.6 °C
• PSA: 0.00000
• Density: 1.082 g/cm³
• LogP: 2.24260
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 126.0003056
• Heavy Atom Count: 6
• Complexity: 40.8

Purity/Quality:

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

1,2-Dichloro-2-methylpropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F，Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCl)Cl

Technology Process of 1,2-Dichloro-2-methylpropane

There total 36 articles about 1,2-Dichloro-2-methylpropane 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: 70.0%

3-Chloro-2-methylpropene (563-47-3) → 1,2-dichloro-2-methylpropane (594-37-6)

Guidance literature:

With chloro-trimethyl-silane; water; for 5h; Ambient temperature;

DOI:10.1080/00397919608003752

Reference yield:

isobutene (115-11-7,15220-85-6) → 1,2-dichloro-2-methylpropane (594-37-6) + tertiary butyl chloride (507-20-0) + 3-Chloro-2-methylpropene (563-47-3)

Guidance literature:

With chlorine; at 70 ℃; for 24h; under 760.051 Torr;

Reference yield:

chlorine (7782-50-5) + isobutene (115-11-7,15220-85-6) → 1,2-dichloro-2-methylpropane (594-37-6) + tertiary butyl chloride (507-20-0) + 1,2,3-trichloro-2-methylpropane (1871-58-5)

Guidance literature:

at 18 ℃; und 30grad;

DOI:10.1021/ja01190a044

upstream raw materials:

Isobutane

tertiary butyl chloride

isobutyraldehyde

isobutyryl chloride

Downstream raw materials:

tetrachloromethane

hexachloroethane

2-Methyl-1,2-propanediol

3-chloro-2-methylpropan-2-ol

Refernces

• 1、 Walling,C.,Mintz,M.J.. "-". . p. 1286 - 1289. Retrieved 1967.
• 2、 -. "Method for co-producing methyl chloropropene and 2-chloro-2-methylpropane by chlorination of isobutene". Paragraph 0022; 0026. . Retrieved 2020/01/12.
• 3、 Yasuda, Makoto,Shimizu, Kenji,Yamasaki, Satoshi,Baba, Akio. "Direct chlorination of alcohols with chlorodimethylsilane catalyzed by a gallium trichloride/tartrate system under neutral conditions". supporting information; experimental part. p. 2790 - 2795. Retrieved 2009/02/03.