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Benzoic acid N-hydroxysuccinimide ester

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Name

Benzoic acid N-hydroxysuccinimide ester

EINECS 803-576-9
CAS No. 23405-15-4 Density 1.39g/cm3
PSA 63.68000 LogP 0.84530
Solubility N/A Melting Point 135.0 to 139.0 °C
Formula C11H9NO4 Boiling Point 342.3 °C at 760 mmHg
Molecular Weight 219.197 Flash Point 160.8 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 23405-15-4 (BZ-OSU) Hazard Symbols IrritantXi
Synonyms

Succinimide,N-(benzoyloxy)- (8CI);N-(Benzoyloxy)succinimide;N-Hydroxysuccinimidylbenzoate;O-Benzoyl-N,N-succinylhydroxylamine;Succinimido benzoate;

Article Data 57

Benzoic acid N-hydroxysuccinimide ester Specification

The 2,5-Pyrrolidinedione,1-(benzoyloxy)-, with the CAS registry number 23405-15-4, is also known as N-(Benzoyloxy)succinimide. This chemical's molecular formula is C11H9NO4 and molecular weight is 219.19. What's more, its systematic name is 1-(benzoyloxy)pyrrolidine-2,5-dione. Its storage temperature is 2-8 °C.

Physical properties of 2,5-Pyrrolidinedione,1-(benzoyloxy)- are: (1)ACD/LogP: -0.05; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 63.68 Å2; (7)Index of Refraction: 1.598; (8)Molar Refractivity: 53.83 cm3; (9)Molar Volume: 157.5 cm3; (10)Polarizability: 21.34×10-24cm3; (11)Surface Tension: 58.9 dyne/cm; (12)Density: 1.39 g/cm3; (13)Flash Point: 160.8 °C; (14)Enthalpy of Vaporization: 58.6 kJ/mol; (15)Boiling Point: 342.3 °C at 760 mmHg; (16)Vapour Pressure: 7.6E-05 mmHg at 25°C.

Preparation of 2,5-Pyrrolidinedione,1-(benzoyloxy)-: this chemical can be prepared by N-hydroxy-succinimide and benzoic acid at the ambient temperature. This reaction will need reagents 4-dimethylaminopyridine, 2-DPC and solvent CH2Cl2 with the reaction time of 1 hour. The yield is about 92%.

2,5-Pyrrolidinedione,1-(benzoyloxy)- can be prepared by N-hydroxy-succinimide and benzoic acid at the ambient temperature

Uses of 2,5-Pyrrolidinedione,1-(benzoyloxy)-: it can be used to produce N-butyl-benzamide at the temperature of 20 °C. It will need solvent dimethylformamide with the reaction time of 4 hours. The yield is about 86%.

2,5-Pyrrolidinedione,1-(benzoyloxy)- can be used to produce N-butyl-benzamide at the temperature of 20 °C

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(OC(=O)c1ccccc1)C(=O)CC2
(2)InChI: InChI=1S/C11H9NO4/c13-9-6-7-10(14)12(9)16-11(15)8-4-2-1-3-5-8/h1-5H,6-7H2
(3)InChIKey: BVUOEDOMUOJKOY-UHFFFAOYSA-N

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