1-Bromo-2-isopropylbenzene

Base Information

• Chemical Name: 1-Bromo-2-isopropylbenzene
• CAS No.: 7073-94-1
• Molecular Formula: C9H11Br
• Molecular Weight: 199.09
• Hs Code.: 2903999090
• European Community (EC) Number: 230-370-0
• UNII: 6YV3W8ZB4K
• DSSTox Substance ID: DTXSID80220986
• Nikkaji Number: J44.145G
• Wikidata: Q72447089
• Mol file: 7073-94-1.mol

Synonyms:1-Bromo-2-isopropylbenzene;7073-94-1;1-Bromo-2-(1-methylethyl)benzene;2-Isopropylbromobenzene;O-BROMOCUMENE;2-Bromocumene;Cumene, o-bromo-;1-bromo-2-isopropyl benzene;2-bromo cumene;1-bromo-2-propan-2-ylbenzene;Benzene, 1-bromo-2-(1-methylethyl)-;2-Bromoisopropylbenzene;MFCD00051567;EINECS 230-370-0;1-Bromo-2-IsopropYl-Benzene;1-bromo-2-(propan-2-yl)benzene;Cumene, 2-bromo-;2-bromoisopropyl benzene;o-Isopropylphenyl bromide;1-Brom-2-isopropyl-benzol;1-Bromo-2-i-propylbenzene;6YV3W8ZB4K;1-bromo-2-i-propyl-benzene;SCHEMBL255259;DTXSID80220986;1-BROMO-2-ISOPRPYLBENZENE;BCP27189;AC-176;VT1219;AKOS005071738;AM10833;CS-W019560;AS-14376;SY026917;B2044;FT-0607460;EN300-155543;W-104543;Z1201618204

Chemical Property of 1-Bromo-2-isopropylbenzene

Chemical Property:

• Vapor Pressure: 0.282mmHg at 25°C
• Melting Point: -58.8°C
• Refractive Index: 1.5410
• Boiling Point: 90 °C
• Flash Point: 90-92°C/15mm
• PSA: 0.00000
• Density: 1.30
• LogP: 3.57250
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 198.00441
• Heavy Atom Count: 10
• Complexity: 98.9

Purity/Quality:

97% ^*data from raw suppliers

1-Bromo-2-isopropylbenzene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=CC=C1Br

Technology Process of 1-Bromo-2-isopropylbenzene

There total 15 articles about 1-Bromo-2-isopropylbenzene 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: 95.0%

bromobenzene (108-86-1,52753-63-6) + isopropyl bromide (75-26-3) → 1-bromo-2-isopropylbenzene (7073-94-1) + 4-iso-propylbromobenzene (586-61-8)

Guidance literature:

aluminium trichloride; at 25 ℃; for 0.75h;

DOI:10.1080/00397919808007036

Reference yield: 86.0%

Isopropylbenzene (98-82-8) → 1-bromo-2-isopropylbenzene (7073-94-1) + 4-iso-propylbromobenzene (586-61-8)

Guidance literature:

With carbon dioxide; bromine; at 40 ℃; for 2h; under 187519 Torr; Supercritical conditions; Green chemistry;

DOI:10.1039/c4ra10557e

Reference yield: 78.0%

Isopropylbenzene (98-82-8) → bromobenzene (108-86-1,52753-63-6) + 1-bromo-2-isopropylbenzene (7073-94-1) + 4-iso-propylbromobenzene (586-61-8)

Guidance literature:

With hydrogenchloride; sodium hypochlorite; sodium bromide; In water; at 19.85 ℃; for 5h; Further Variations:; Temperatures; Reagents; reagents ratio; Product distribution;

DOI:10.1007/s11178-006-0010-3

upstream raw materials:

Isopropylbenzene

2-(1-methylethyl)phenol

2-(3-bromophenyl)-2-propanol

2-isopropylaniline

Downstream raw materials:

2-methylisopropylbenzene

2-isopropylbenzoic acid

5-(2-Isopropylphenyl)-1.5-diphenyl-4-penten-1-on

(2-isopropylphenyl)(phenyl)methanol