ChemicalBook > CAS DataBase List > 6-BROMO-3 H-ISOBENZOFURAN-1-ONE

6-BROMO-3 H-ISOBENZOFURAN-1-ONE

Product Name
6-BROMO-3 H-ISOBENZOFURAN-1-ONE
CAS No.
19477-73-7
Chemical Name
6-BROMO-3 H-ISOBENZOFURAN-1-ONE
Synonyms
6-Bromophthalide;Roxadustat Impurity 12;6-bromo-1(3H)-isobenzofuanone;6-bromo-1H-isobenzofuran-1-one;6-bromo-2-benzofuran-1(3H)-one;6-BROMO-3 H-ISOBENZOFURAN-1-ONE;1(3H)-Isobenzofuranone, 6-broMo-;6-broMo-1,3-dihydro-2-benzofuran-1-one;1(3H)-Isobenzofuranone, 6-bromo-, 97%min
CBNumber
CB9119987
Molecular Formula
C8H5BrO2
Formula Weight
213.03
MOL File
19477-73-7.mol
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6-BROMO-3 H-ISOBENZOFURAN-1-ONE Property

Melting point:
99.5 °C
Boiling point:
362.4±42.0 °C(Predicted)
Density 
1.742±0.06 g/cm3(Predicted)
storage temp. 
2-8°C
solubility 
Chloroform (Slightly), Methanol (Slightly)
form 
Solid
color 
White to Off-White
InChI
InChI=1S/C8H5BrO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2
InChIKey
BELKVKMBIAENSA-UHFFFAOYSA-N
SMILES
C1(=O)C2=C(C=CC(Br)=C2)CO1
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Safety

Hazard Codes 
Xn
Risk Statements 
22
Safety Statements 
24/25
HS Code 
29322090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H272May intensify fire; oxidizer

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P220Keep/Store away from clothing/…/combustible materials.

P221Take any precaution to avoid mixing with combustibles/…

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P370+P378In case of fire: Use … for extinction.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC
Product number
B688668
Product name
6-Bromo-3H-isobenzofuran-1-one
Packaging
250mg
Price
$55
Updated
2021/12/16
AK Scientific
Product number
J56860
Product name
6-Bromo-3H-isobenzofuran-1-one
Packaging
1g
Price
$49
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB142645
Product name
6-Bromo-3H-isobenzofuran-1-one
Packaging
500mg
Price
$50
Updated
2021/12/16
Oakwood
Product number
026924
Product name
6-Bromo-3H-isobenzofuran-1-one
Purity
95%
Packaging
250mg
Price
$55
Updated
2021/12/16
Matrix Scientific
Product number
074102
Product name
6-Bromo-3H-isobenzofuran-1-one
Purity
95+%
Packaging
1g
Price
$59
Updated
2021/12/16
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6-BROMO-3 H-ISOBENZOFURAN-1-ONE Chemical Properties,Usage,Production

Chemical Properties

Light red crystal

Synthesis

57319-65-0

19477-73-7

Step c: Synthesis of 6-bromoisobenzofuran-1(3H)-one Aqueous (22 mL) solution of NaNO2 (2.2 g, 0.040 mol) was added dropwise to a suspension of 6-aminoisobenzofuran-1(3H)-one (5.0 g, 0.030 mol) in HBr (70 mL, 48%), keeping the reaction temperature at 0 °C. After completion of dropwise addition, stirring of the reaction mixture was continued for 20 min. Subsequently, the reaction solution was transferred to a pre-cooled solution of CuBr (22 g, 0.21 mol) in HBr (48%, 23 mL). The resulting dark brown mixture was stirred for 20 min and then diluted with deionized water (200 mL) to precipitate an orange precipitate. The precipitate was collected by filtration, washed with saturated NaHCO3 solution and subsequently extracted with ethyl acetate (20 mL x 3). The organic phases were combined, dried with anhydrous Na2SO4 and concentrated under reduced pressure to afford 6-bromoisobenzofuran-1(3H)-one (5.4 g, 84% yield). 1H NMR (300 MHz, CDCl3) δ 8.05 (d, J = 1.8 Hz, 1H), 7.80 (dd, J = 8.1, 1.8 Hz, 1H), 7.39 (d, J = 8.1 Hz, 1H), 5.28 (s, 2H).

References

[1] Patent: US2008/9524, 2008, A1. Location in patent: Page/Page column 410
[2] Patent: EP1362856, 2003, A1. Location in patent: Page/Page column 159
[3] Patent: US2015/231142, 2015, A1. Location in patent: Paragraph 1265
[4] Chemistry of Heterocyclic Compounds, 2010, vol. 46, # 2, p. 140 - 145
[5] Journal of Medicinal Chemistry, 2015, vol. 58, # 9, p. 3997 - 4015

6-BROMO-3 H-ISOBENZOFURAN-1-ONE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 6-BROMO-3 H-ISOBENZOFURAN-1-ONE manufacturers

ShenZhen H&D Pharmaceutical Technology Co., LTD
Product
Roxadustat Impurity 12
Price
US $0.00-0.00/mg
Min. Order
10mg
Purity
98%
Supply Ability
500mg
Release date
2024-07-17
Zhuozhou Wenxi import and Export Co., Ltd
Product
6-BROMO-3 H-ISOBENZOFURAN-1-ONE 19477-73-7
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-07-10
Zhuozhou Wenxi import and Export Co., Ltd
Product
6-BROMO-3 H-ISOBENZOFURAN-1-ONE 19477-73-7
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-07-09