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CAS No.: | 74243-85-9 |
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Name: | DIETHYL (2R,3R)-(-)-2,3-EPOXYSUCCINATE |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C8H12O5 |
Molecular Weight: | 188.18 |
Synonyms: | 2,3-Oxiranedicarboxylicacid, diethyl ester, (2R,3R)- (9CI);2,3-Oxiranedicarboxylic acid, diethylester, (2R-trans)-;(2R,3R)-2,3-Diethoxycarbonyloxirane;(R,R)-Diethyloxirane-2,3-dicarboxylate;Diethyl (2R,3R)-epoxysuccinate; |
Density: | 1.233 g/cm3 |
Boiling Point: | 233.7 °C at 760 mmHg |
Flash Point: | 95.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 65.13000 |
LogP: | -0.12000 |
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The 2,3-Oxiranedicarboxylicacid, 2,3-diethyl ester, (2R,3R)-, with the CAS registry number 74243-85-9, is also known as Oxirane-2,3-dicarboxylic acid diethyl ester. It belongs to the product categories of EPOXYDE; Chiral Building Blocks; Epoxides; Organic Building Blocks. This chemical's molecular formula is C8H12O5 and molecular weight is 188.18. What's more, its systematic name is diethyl (2R,3R)-oxirane-2,3-dicarboxylate.
Physical properties of 2,3-Oxiranedicarboxylicacid, 2,3-diethyl ester, (2R,3R)- are: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 0.74; (5)ACD/BCF (pH 5.5): 2.15; (6)ACD/BCF (pH 7.4): 2.15; (7)ACD/KOC (pH 5.5): 60.27; (8)ACD/KOC (pH 7.4): 60.27; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 65.13 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 41.99 cm3; (15)Molar Volume: 152.5 cm3; (16)Polarizability: 16.64×10-24 cm3; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.233 g/cm3; (19)Flash Point: 95.5 °C; (20)Enthalpy of Vaporization: 47.05 kJ/mol; (21)Boiling Point: 233.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0549 mmHg at 25°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)Canonical SMILES: O=C(OCC)[C@@H]1O[C@H]1C(=O)OCC
(2)InChI: InChI=1/C8H12O5/c1-3-11-7(9)5-6(13-5)8(10)12-4-2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
(3)InChIKey: LDFQMMUIJQDSAB-PHDIDXHHBT