1-CHLORO-2-METHYLBUTANE

Base Information

• Chemical Name: 1-CHLORO-2-METHYLBUTANE
• CAS No.: 616-13-7
• Deprecated CAS: 114180-21-1
• Molecular Formula: C5H11Cl
• Molecular Weight: 106.595
• European Community (EC) Number: 210-466-9
• DSSTox Substance ID: DTXSID10883245
• Nikkaji Number: J95.697J
• Mol file: 616-13-7.mol

Synonyms:1-Chloro-2-methylbutane;2-Methylbutyl chloride;

Chemical Property of 1-CHLORO-2-METHYLBUTANE

Chemical Property:

• Vapor Pressure: 46.2mmHg at 25°C
• Melting Point: -104 °C
• Refractive Index: n20/D 1.412(lit.)
• Boiling Point: 98.3 °C at 760 mmHg
• Flash Point: 9.8 °C
• PSA: 0.00000
• Density: 0.867 g/cm³
• LogP: 2.27130
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 106.0549280
• Heavy Atom Count: 6
• Complexity: 27.1

Purity/Quality:

98% ^*data from raw suppliers

1-Chloro-2-methylbutane ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CCl

Technology Process of 1-CHLORO-2-METHYLBUTANE

There total 12 articles about 1-CHLORO-2-METHYLBUTANE 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:

(+/-)-2-methyl-1-butanol (137-32-6) → 1-chloro-2-methylbutane (616-13-7)

Guidance literature:

With hydrogenchloride; at 90 ℃;

Reference yield:

hexane (110-54-3) → 1-chloro-2-methylbutane (616-13-7) + 2-methyl-2-butylchloride (594-36-5) + 2-chloro-3-methyl-butane (631-65-2) + 1-chloro-3-methylbutane (107-84-6)

Guidance literature:

With chlorine; In trifluoroacetic acid; at 5 ℃; for 8h; Yield given. Yields of byproduct given; Irradiation;

Reference yield:

methylbutane (78-78-4) → 1-chloro-2-methylbutane (616-13-7) + 2-methyl-2-butylchloride (594-36-5) + 2-chloro-3-methyl-butane (631-65-2) + 1-chloro-3-methylbutane (107-84-6)

Guidance literature:

Chlorierung in Dampfform;

upstream raw materials:

methylbutane

(+/-)-2-methyl-1-butanol

14-phenyl-14H-dibenzo[a.j]xanthene

pentane

Downstream raw materials:

2-methylbutyl acetate

(+/-)-2-methyl-1-butanol

2-Methyl-1-butene

(S)-3-methyl-pentan-1-ol

Refernces

• 1、 Fuller, Steven E.,Smith, John R. Lindsay,Norman, Richard O. C.,Higgins, Raymond. "Selectivity in the Halogenation of Hexane by Tertiary Aminium Radicals from the Photodecomposition of N-Halogenoammonium Perchlorates". . p. 545 - 552. Retrieved 2007/10/02.