1-Chloro-2-methylpropane

Base Information

• Chemical Name: 1-Chloro-2-methylpropane
• CAS No.: 513-36-0
• Molecular Formula: C4H9Cl
• Molecular Weight: 92.5685
• Hs Code.: 29031990
• European Community (EC) Number: 208-157-9
• ICSC Number: 0286
• UN Number: 1127
• UNII: 95E08D17M7
• DSSTox Substance ID: DTXSID4060153
• Nikkaji Number: J2.619K
• Wikipedia: Isobutyl_chloride
• Wikidata: Q1827019
• ChEMBL ID: CHEMBL160966
• Mol file: 513-36-0.mol

Synonyms:1-Chloro-2-methylpropane;2-Chloromethylpropane;2-Methyl-1-chloropropane;2-Methylpropyl chloride;

Chemical Property of 1-Chloro-2-methylpropane

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 147mmHg at 25°C
• Melting Point: -131 °C(lit.)
• Refractive Index: n20/D 1.398(lit.)
• Boiling Point: 69.2 °C at 760 mmHg
• Flash Point: 21.1 °C
• PSA: 0.00000
• Density: 0.87 g/cm³
• LogP: 1.88120
• Storage Temp.: 2-8°C
• Solubility.: H2O: insoluble
• Water Solubility.: 28 mg/l (20 ºC)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 92.0392780
• Heavy Atom Count: 5
• Complexity: 17.6

Purity/Quality:

99% ^*data from raw suppliers

1-Chloro-2-methylpropane >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11
• Safety Statements: 16-9-33-29

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Chlorinated Aliphatics
• Canonical SMILES: CC(C)CCl
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Uses: 1-Chloro-2-methylpropane is used to prepare an organometllic compound, isobutyllithium by reacting with lithium using petroleum ether as a solvent.

Technology Process of 1-Chloro-2-methylpropane

There total 68 articles about 1-Chloro-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: 58.0%

→ isobutyl formate (542-55-2) + isobutyryl chloride (513-36-0)

Guidance literature:

With benzoyl chloride; at 100 ℃; for 2.25h;

Reference yield: 24.0%

Trifluoromethylsulfenyl chloride (421-17-0) + Isobutane (75-28-5,40921-86-6) → CF3SCH2C(CH3)3 + tertiary butyl chloride (507-20-0) + 2-methyl-2-[(trifluoromethyl)thio]propane (2708-84-1) + Bis(trifluoromethyl)disulfid (372-64-5) + isobutyryl chloride (513-36-0)

Guidance literature:

byproducts: HCl; Irradiation (UV/VIS);

DOI:10.1021/jo01341a070

Reference yield: 2.0%

Isobutane (75-28-5,40921-86-6) → tertiary butyl chloride (507-20-0) + isobutyryl chloride (513-36-0) + tert-butyl alcohol (75-65-0)

Guidance literature:

With 5,10,15,20-tetraphenyl-21 H,23-H-porphine manganese(III)chloride; iodosylbenzene; In water; chlorobenzene; for 12h;

DOI:10.1021/jo00167a023

upstream raw materials:

phosphorochloridous acid diisobutyl ester

2-methyl-propan-1-ol

methylene

isopropyl chloride

Downstream raw materials:

3-tert-butylphenyol

2-tert-Butylphenol

4-(tert-butyl)chlorobenzene

tert-butylbenzene