Cas 574-98-1 Peptides Steroids 2-(2-Bromo-Ethyl)-Isoindole-1,3-Dione White Crystal

The IUPAC name of 1H-Isoindole-1,3(2H)-dione,2-(2-bromoethyl)- is 2-(2-bromoethyl)isoindole-1,3-dione. With the CAS registry number 574-98-1, it is also named as 1-Bromo-2-phthalimidoethane. The product's categories are N-Substituted Maleimides, Succinimides & Phthalimides; N-Substituted Phthalimides; Bifunctional Crosslinkers Organic Building Blocks; Carbonyl Compounds; Cyclic Imides; Linkers; Peptide Synthesis. Besides, it is white powder, which is insoluble in water. In addition, its molecular formula is C₁₀H₈BrNO₂ and molecular weight is 254.08.

The other characteristics of this product can be summarized as: (1) EINECS: 209-379-9; (2) ACD/LogP: 2.53; (3) # of Rule of 5 Violations: 0; (4) ACD/LogD (pH 5.5): 2.53; (5) ACD/LogD (pH 7.4): 2.53; (6) ACD/BCF (pH 5.5): 49.61; (7) ACD/BCF (pH 7.4): 49.61; (8) ACD/KOC (pH 5.5): 569.27; (9) ACD/KOC (pH 7.4): 569.27; (10) #H bond acceptors: 3; (11) #H bond donors: 0; (12) #Freely Rotating Bonds: 2; (13) Index of Refraction: 1.632; (14) Molar Refractivity: 54.7 cm³; (15) Molar Volume: 153.3 cm³; (16) Surface Tension: 57.4 dyne/cm; (17) Density: 1.657 g/cm³; (18) Flash Point: 161.2 °C; (19) Melting Point: 80-83 °C; (20) Water Solubility: 224 mg/L at 25 °C; (21) Enthalpy of Vaporization: 58.67 kJ/mol; (22) Boiling Point: 342.9 °C at 760 mmHg; (23)Vapour Pressure: 7.3E-05 mmHg at 25 °C.

Preparation of 1H-Isoindole-1,3(2H)-dione,2-(2-bromoethyl)-: this chemical can be prepared by condensation and bromination of Phthalic anhydride.



This reaction needs Ethanolamine and PBr₃.

Uses of 1H-Isoindole-1,3(2H)-dione,2-(2-bromoethyl)-: this chemical is an intermediate used in organic synthesis. Additionally, it can react with phenylmagnesium bromide to get 2-(2-bromo-ethyl)-3-hydroxy-3-phenyl-isoindolin-1-one.



This reaction needs diethyl ether and benzene.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
(1) Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCBr
(2) InChI: InChI=1S/C10H8BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2
(3) InChIKey: CHZXTOCAICMPQR-UHFFFAOYSA-N