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6941-75-9

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6941-75-9 Structure

6941-75-9 Structure
IdentificationMore
[Name]

4-Bromophthalimide
[CAS]

6941-75-9
[Synonyms]

4-BROMOPHTHALIMIDE
5-bromoisoindole-1,3-dione
5-BROMO PHTHALIMIDE
bromophtalimide
4-Bromophtalimide
4-BROMOPHTHALIMIDE 98+%
[Molecular Formula]

C8H4BrNO2
[MDL Number]

MFCD00466049
[Molecular Weight]

226.03
[MOL File]

6941-75-9.mol
Chemical PropertiesBack Directory
[Appearance]

yellow to slight yellow powder
[Melting point ]

235 °C
[density ]

1.826±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Soluble in N,N-DMF almost transparency.
[form ]

Solid
[pka]

9.19±0.20(Predicted)
[color ]

Off-white
[InChI]

InChI=1S/C8H4BrNO2/c9-4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,(H,10,11,12)
[InChIKey]

GNYICZVGHULCHE-UHFFFAOYSA-N
[SMILES]

C1(=O)C2=C(C=C(Br)C=C2)C(=O)N1
[CAS DataBase Reference]

6941-75-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[HS Code ]

2933998090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

5-Bromo-1-indanone-->4-Bromo phthalic anhydrus-->4-Aminophthalimide-->4-Bromophthalic acid monosodium salt
[Preparation Products]

tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindoline-2-carboxylate-->6-Bromophthalazin-1(2H)-one-->2-Amino-4-bromobenzoic acid-->Isoindoline-5-carbonitrile-->1H-Isoindole-1,3(2H)-dione, 5-broMo-6-nitro--->5-bromo-3-hydroxyisoindolin-1-one
Hazard InformationBack Directory
[Chemical Properties]

yellow to slight yellow powder
[Uses]

It is used as a intermediate for pharmaceutical and organic synthesis.
[Synthesis]

4-BROMO PHTHALIC ANHYDRUS

86-90-8

4-Bromophthalimide

6941-75-9

General procedure for the synthesis of 5-bromoisobenzofuran-1,3-dione from 5-bromoisobenzofuran-1,3-dione: 5-bromoisobenzofuran-1,3-dione (6.6 g, 30 mmol, 1.0 eq.) was mixed with formamide (10 mL, 240 mmol, 8.0 eq.), and the reaction was stirred for 2 hr at 200 °C. Upon completion of the reaction, the mixture was quenched by pouring it into an ice-water mixture. The precipitated solid product was collected by filtration and dried under vacuum to afford 5-bromoisoindole-1,3-dione (7.0 g, 99% yield). Mass spectrum (ESI): m/z 227 ([M+H]+).

[References]

[1] Patent: US2010/204214, 2010, A1. Location in patent: Page/Page column 109
[2] Patent: JP5906522, 2016, B2. Location in patent: Paragraph 0058; 0059
[3] Chemistry of Materials, 2010, vol. 22, # 18, p. 5258 - 5270
[4] Molecules, 2010, vol. 15, # 8, p. 5561 - 5580
[5] Patent: WO2014/89324, 2014, A1. Location in patent: Paragraph 0234
Spectrum DetailBack Directory
[Spectrum Detail]

4-Bromophthalimide(6941-75-9)MS
4-Bromophthalimide(6941-75-9)1HNMR
4-Bromophthalimide(6941-75-9)13CNMR
4-Bromophthalimide(6941-75-9)IR1
4-Bromophthalimide(6941-75-9)IR2
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

4-Bromophthalimide,>98.0%(LC)(T)(6941-75-9)
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