5-Bromophthalide

Base Information

Chemical Name:5-Bromophthalide
CAS No.:64169-34-2
Molecular Formula:C8H5BrO2
Molecular Weight:213.03
Hs Code.:29329990
European Community (EC) Number:613-485-4,924-191-3
DSSTox Substance ID:DTXSID60345267
Nikkaji Number:J1.482.970I
Wikidata:Q72511464
Mol file:64169-34-2.mol

Synonyms:5-Bromophthalide;64169-34-2;5-bromoisobenzofuran-1(3H)-one;5-Bromo-1(3H)-isobenzofuranone;5-bromo-3H-2-benzofuran-1-one;5-bromo-1,3-dihydro-2-benzofuran-1-one;1(3H)-Isobenzofuranone, 5-bromo-;MFCD01797360;5-bromo-3H-isobenzofuran-1-one;5-Bromo-2-benzofuran-1(3H)-one;5-bromo-1,3-dihydro-isobenzofuran-1-one;5-Bromo-3H-isobenzofuranone;5-bromphthalide;5-Bromophthalide, 97%;SCHEMBL87174;IUSPXLCLQIZFHL-UHFFFAOYSA-;DTXSID60345267;BCP15704;STL577021;Isobenzofuran-1(3H)-one, 5-bromo-;5-Bromo-2-benzofuran-1(3H)-one #;AKOS005067747;CS-W007667;FS-2012;SB40560;AC-15824;AC-29978;BP-20388;SY020509;AM20050066;B2770;FT-0620172;EN300-85052;A834660;AE-641/30105044;J-517193;(1-METHYLENE-3-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ACETICACID

Suppliers and Price of 5-Bromophthalide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
5-Bromophthalide
25g
$ 105.00

TRC
5-Bromophthalide
10g
$ 70.00

TCI Chemical
5-Bromophthalide >98.0%(GC)
25g
$ 214.00

TCI Chemical
5-Bromophthalide
5G
$ 42.00

SynQuest Laboratories
5-Bromophthalide 97%
5 g
$ 12.00

SynQuest Laboratories
5-Bromophthalide 97%
25 g
$ 25.00

Sigma-Aldrich
5-Bromophthalide 97%
25g
$ 120.00

Sigma-Aldrich
5-Bromophthalide 97%
5g
$ 29.10

Medical Isotopes, Inc.
5-Bromophthalide
10 g
$ 845.00

Matrix Scientific
5-Bromo-1(3H)-isobenzofuranone
25g
$ 100.00

Total 144 raw suppliers

Chemical Property of 5-Bromophthalide

Chemical Property:

Appearance/Colour:white to pale yellow crystalline solid
Vapor Pressure:6.63E-06mmHg at 25°C
Melting Point:162-166 °C
Refractive Index:1.625
Boiling Point:377.7 °C at 760 mmHg
Flash Point:182.2 °C
PSA：26.30000
Density:1.742 g/cm³
LogP:2.11950
Storage Temp.:Inert atmosphere,Room Temperature
Solubility.:Soluble in acetone.
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:211.94729
Heavy Atom Count:11
Complexity:181

Purity/Quality:

99% ^*data from raw suppliers

5-Bromophthalide ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 37/39-26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=C(C=CC(=C2)Br)C(=O)O1
Uses 5-Bromophthalide is an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field. It is a key intermediate of citalopram. 5-Bromophthalide is a useful synthetic intermediate

Technology Process of 5-Bromophthalide

There total 26 articles about 5-Bromophthalide 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: 96.6%