Einecs 209-835-7

Base Information

• Chemical Name: Einecs 209-835-7
• CAS No.: 594-34-3
• Molecular Formula: C4H8 Br2
• Molecular Weight: 215.916
• Hs Code.: 29033919
• Mol file: 594-34-3.mol

Synonyms:NSC 9233;EINECS 209-835-7;Propane, 1,1-dibromo-2-methyl-;BRN 1731237;Dibrom-isobutan;alpha-bromoisobutylbromide;UNII-JQ3DRB3J8L;SCHEMBL377257;FGOANQWFWXSPKL-UHFFFAOYSA-N;LS-119951

Chemical Property of Einecs 209-835-7

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 4.47mmHg at 25°C
• Melting Point: 10.5°C
• Refractive Index: 1.5083-1.5103
• Boiling Point: 145.1°Cat760mmHg
• Flash Point: 26.2°C
• PSA: 0.00000
• Density: 1.774g/cm³
• LogP: 2.55480
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 215.89723
• Heavy Atom Count: 6
• Complexity: 32.5

Purity/Quality:

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

1,2-Dibromo-2-methylpropane 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 40-36/37/38-20/21/22
• Safety Statements: 45-37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C(Br)Br

Technology Process of Einecs 209-835-7

There total 52 articles about Einecs 209-835-7 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: 82.0%

N-bromo-1,8-naphthalenedicarboximide (105089-47-2) + isobutene (115-11-7,15220-85-6) → 1,2-dibromo-2-methyl-propane (594-34-3) + 4-Bromo-3-methyl-1-butene (31950-55-7) + N-(2-bromo-2-methylpropyl)-1,8-naphthalenedicarboximide (105089-48-3)

Guidance literature:

In dichloromethane; at 17 ℃; Mechanism; Product distribution; Irradiation; other unsaturated compounds, alkanes, also with phthalimide, other N-bromo imides, var. time, and temp. other competition reaction with alkanes (or benzene) and alkenes;

DOI:10.1021/jo00375a038

Reference yield: 78.0%

isobutene (115-11-7,15220-85-6) → 1,2-dibromo-2-methyl-propane (594-34-3)

Guidance literature:

With bromine; In hexane; at 0 ℃; Irradiation;

DOI:10.1021/jo00133a007

Reference yield: 75.0%

isobutene (115-11-7,15220-85-6) → 1,2-dibromo-2-methyl-propane (594-34-3) + Dithiophosphoric acid S-(2-bromo-2-methyl-propyl) ester O,O'-bis-(2,2-dimethyl-propyl) ester

Guidance literature:

With (tBuCH₂O)2P(S)SBr; In toluene; at 0 - 15 ℃;

DOI:10.1039/c39820001362

upstream raw materials:

tertiary butyl chloride

2-methyl-propan-1-ol

t-butyl bromide

Isobutyl bromide

Downstream raw materials:

diphenyldisulfane

methallyl acetate

1,2-bis-benzenesulfonyl-2-methyl-propane

2-methyl-1,2-bis-palmitoyloxy-propane

Refernces

• 1、 Kuznetsova, Lidia I.,Kuznetsova, Nina I.,Zudin, Vladimir N.,Utkin, Viktor A.,Trebushat, Dmitry V.,Fedotov, Martin A.,Larina, Tatyana V.. "Oxidative bromination of alkenes mediated with nitrite in ionic liquids". . p. 1499 - 1506,8. Retrieved 2014/11/08.
• 2、 Connelly, Gregory D.,Tipping, Anthony E.. "The reaction of bis(trifluoromethyl)amino-oxyl with t-butyl bromide, t-butyl chloride, 2,2-dichloropropane, 2-chloro-2-phenylpropane and t-butyl acetate". . p. 83 - 92. Retrieved 2007/10/02.