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N-Hydroxy-3,6-epoxy-1,2,3,6-tetrahydrophthalimide

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Name

N-Hydroxy-3,6-epoxy-1,2,3,6-tetrahydrophthalimide

EINECS N/A
CAS No. 5596-17-8 Density 1.728 g/cm3
PSA 66.84000 LogP -0.74810
Solubility N/A Melting Point 194 °C (dec.)(lit.)

Formula C8H7NO4 Boiling Point 384.8 °C at 760 mmHg
Molecular Weight 181.148 Flash Point 186.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5596-17-8 (EXO-N-HYDROXY-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXIMIDE) Hazard Symbols IrritantXi
Synonyms

7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboximide,N-hydroxy- (7CI,8CI);N-Hydroxy-1,4-epoxy-5-cyclohexene-2,3-dicarboximide;N-Hydroxy-3,6-epoxy-1,2,3,6-tetrahydrophthalimide;(3aR,4S,7R,7aS)-2-Hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione;Exo-N-hydroxy-7-oxabicyclo(2.2.1)hept-5-ene-2,3-D;

Article Data 4

N-Hydroxy-3,6-epoxy-1,2,3,6-tetrahydrophthalimide Specification

The 4,7-Epoxy-1H-isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-hydroxy-, with the CAS registry number 5596-17-8, is also known as N-Hydroxy-3,6-epoxy-1,2,3,6-tetrahydrophthalimide. It belongs to the product categories of Carbonyl Compounds; Cyclic Imides; Organic Building Blocks. This chemical's molecular formula is C8H7NO4 and molecular weight is 181.15. What's more, its systematic name is (3aR,4S,7R,7aS)-2-Hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione. It should be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxidants.

Physical properties of 4,7-Epoxy-1H-isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-hydroxy- are: (1)ACD/LogP: -1.47; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 55.84 Å2; (7)Index of Refraction: 1.68; (8)Molar Refractivity: 39.62 cm3; (9)Molar Volume: 104.8 cm3; (10)Polarizability: 15.7×10-24 cm3; (11)Surface Tension: 81.8 dyne/cm; (12)Density: 1.728 g/cm3; (13)Flash Point: 186.5 °C; (14)Enthalpy of Vaporization: 73.27 kJ/mol; (15)Boiling Point: 384.8 °C at 760 mmHg; (16)Vapour Pressure: 1.66E-07 mmHg at 25°C.

Uses of 4,7-Epoxy-1H-isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-hydroxy-: it can be used to produce carbonic acid 3,5-dioxo-10-oxa-4-aza-tricyclo[5.2.1.02,6]dec-8-en-4-yl ester ethyl ester at the ambient temperature. It will need reagent triethylamine and solvent dimethylformamide with the reaction time of 2 hours. The yield is about 79%.

4,7-Epoxy-1H-isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-hydroxy- can be used to produce carbonic acid 3,5-dioxo-10-oxa-4-aza-tricyclo[5.2.1.0]dec-8-en-4-yl ester ethyl ester at the ambient temperature

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, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(O)C(=O)[C@H]3[C@H]/1O[C@H](\C=C\1)[C@@H]23
(2)InChI: InChI=1S/C8H7NO4/c10-7-5-3-1-2-4(13-3)6(5)8(11)9(7)12/h1-6,12H/t3-,4+,5-,6+
(3)InChIKey: PPVGNPSAUJFBJY-FBXFSONDSA-N

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