4-Bromo-2-fluorobenzyl bromide

Base Information

• Chemical Name: 4-Bromo-2-fluorobenzyl bromide
• CAS No.: 76283-09-5
• Molecular Formula: C7H5Br2F
• Molecular Weight: 267.923
• Hs Code.: 29039990
• European Community (EC) Number: 278-412-7
• UNII: 0Z26XYC1JY
• DSSTox Substance ID: DTXSID1057822
• Nikkaji Number: J319.301B
• Wikidata: Q27237365
• ChEMBL ID: CHEMBL3188813
• Mol file: 76283-09-5.mol

Synonyms:4-Bromo-2-fluorobenzyl bromide;76283-09-5;4-Bromo-1-(bromomethyl)-2-fluorobenzene;2-fluoro-4-bromobenzyl bromide;C7H5Br2F;4-Bromo-1-(bromomethyl)-2-fluoro-benzene;Benzene, 4-bromo-1-(bromomethyl)-2-fluoro-;2-fluoro-4-bromobenzylbromide;EINECS 278-412-7;MFCD00055467;UNII-0Z26XYC1JY;0Z26XYC1JY;DTXSID1057822;4-bromo-1-bromomethyl-2-fluorobenzene;1-Bromo-4-bromomethyl-3-fluorobenzene;2-Fluoro-4-bromo-benzylbromide;4-Bromo-1-bromomethyl-2-fluoro-benz;4,a-Dibromo-2-fluorotoluene;SCHEMBL308050;C7-H5-Br2-F;4-bromo-2-fluoro-benzylbromide;CHEMBL3188813;DTXCID2031611;2-fluoro-4-bromo benzyl bromide;4-bromo-2-fluoro benzyl bromide;XMHNLZXYPAULDF-UHFFFAOYSA-N;Tox21_113803;AKOS005063873;4-Bromo-2-fluorobenzyl bromide, 98%;AM61632;CS-W007838;4-bromo-1-bromomethyl-2-fluoro-benzene;NCGC00253679-01;AC-26172;AS-12825;.ALPHA.,4-DIBROMO-2-FLUOROTOLUENE;CAS-76283-09-5;A9665;B1934;FT-0617778;4-BROMO-2-FLUORO-(BROMOMETHYL)BENZENE;EN300-20942;SR-01000944786;SR-01000944786-1;W-104369;Q27237365;InChI=1/C7H5Br2F/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H

Chemical Property of 4-Bromo-2-fluorobenzyl bromide

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.0281mmHg at 25°C
• Melting Point: 33-36 °C(lit.)
• Refractive Index: 1.583
• Boiling Point: 254.1 °C at 760 mmHg
• Flash Point: 107.5 °C
• PSA: 0.00000
• Density: 1.923 g/cm³
• LogP: 3.48310
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Lachrymatory
• Solubility.: soluble in Methanol
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 267.87215
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-2-fluorobenzyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34-52/53-20/21/22
• Safety Statements: 26-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)F)CBr
• Uses: 4-Bromo-2-fluorobenzyl bromide may be used in the synthesis of 1-(2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)benzyl)indoline-2,3-dione.

Technology Process of 4-Bromo-2-fluorobenzyl bromide

There total 3 articles about 4-Bromo-2-fluorobenzyl bromide 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: 91.0%

4-bromo-2-fluorobenzyl alcohol (188582-62-9) → 4-bromo-2-fluorobenzyl bromide (76283-09-5)

Guidance literature:

With hydrogen bromide; at 100 ℃; for 0.166667h;

Reference yield: 89.0%

2-fluoro-4-bromotoluene (51436-99-8) → 4-bromo-2-fluorobenzyl bromide (76283-09-5)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; at 100 ℃; for 13h;

Reference yield:

4-bromo-2-fluorobenzaldehyde (57848-46-1) → 4-bromo-2-fluorobenzyl bromide (76283-09-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate / methanol / 0.5 h / 20 °C

2: hydrogen bromide / 0.17 h / 100 °C

With sodium tetrahydroborate; hydrogen bromide; In methanol;

upstream raw materials:

2-fluoro-4-bromotoluene

4-bromo-2-fluorobenzaldehyde

4-bromo-2-fluorobenzyl alcohol

Downstream raw materials:

6-chloro-2-<(4-bromo-2-fluorophenyl)methyl>-2H-3,1-benzoxazine-2,4(1H)-dione

[2-(4-Bromo-2-fluoro-benzyl)-3-oxo-2,3-dihydro-isoindol-(1Z)-ylidene]-cyano-acetic acid ethyl ester

4-(4-Brom-2-fluorphenyl)-3-phenyl-3-(1H-1,2,4-triazol-1-yl)-2-butanon

[4-(4-Bromo-2-fluoro-benzyl)-8-chloro-3-oxo-3,4-dihydro-2H-benzo[1,4]thiazin-2-yl]-acetic acid ethyl ester

Refernces

• 1、 -. "Novel Triazolopyrazine Derivatives and Use Thereof". Paragraph 0268. . Retrieved 2017/07/31.
• 2、 -. "NOVEL TRIAZOLOPYRAZINE DERIVATIVE AND USE THEREOF". Paragraph 0169; 1070. . Retrieved 2015/10/06.