CAS No.5596-17-8,EXO-N-HYDROXY-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXIMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5596-17-8
Name:	EXO-N-HYDROXY-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXIMIDE
Article Data:	4

Formula:	C₈H₇NO₄
Molecular Weight:	181.148
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;
Density:	1.728 g/cm³
Melting Point:	194 °C (dec.)(lit.)
Boiling Point:	384.8 °C at 760 mmHg
Flash Point:	186.5 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	66.84000
LogP:	-0.74810

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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^-24cm³; (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[5.2.1.0^2,6]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