Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Diethyl trans-1,2-cyclopropanedicarboxylate |
EINECS | N/A |
CAS No. | 3999-55-1 | Density | 1.153 g/cm3 |
PSA | 52.60000 | LogP | 0.74870 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H14O4 | Boiling Point | 246.288 °C at 760 mmHg |
Molecular Weight | 186.21 | Flash Point | 98.333 °C |
Transport Information | N/A | Appearance | Clear colorless to yellow liquid after melting |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,2-Cyclopropanedicarboxylicacid, diethyl ester, (1R,2R)-rel- (9CI);1,2-Cyclopropanedicarboxylic acid,diethyl ester, trans- (8CI);ZINC00388364;Diethyl (1R,2R)-cyclopropane-1,2-dicarboxylate; |
Article Data | 11 |
The 1,2-Cyclopropanedicarboxylicacid, 1,3-diethyl ester, (1R,2R)-rel- with CAS registry number of 3999-55-1 is also known as Diethyl trans-1,2-cyclopropanedicarboxylate. The IUPAC name is Diethyl (1R,2R)-cyclopropane-1,2-dicarboxylate. It belongs to product categories of C8 to C9; Carbonyl Compounds; Esters In addition, the formula is C9H14O4 and the molecular weight is 186.09. This chemical is a clear colorless to yellow liquid after melting that should be sealed in cool, dry place away from acids, alkalis, reducing agents, oxidizing agents.
Physical properties about 1,2-Cyclopropanedicarboxylicacid, 1,3-diethyl ester, (1R,2R)-rel- are: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 52.6Å2; (7)Index of Refraction: 1.469; (8)Molar Refractivity: 45.002 cm3; (9)Molar Volume: 161.478 cm3; (10)Polarizability: 17.84×10-24cm3; (11)Surface Tension: 40.693 dyne/cm; (12)Density: 1.153 g/cm3; (13)Flash Point: 98.333 °C; (14)Enthalpy of Vaporization: 48.34 kJ/mol; (15)Boiling Point: 246.288 °C at 760 mmHg; (16)Vapour Pressure: 0.027 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES:O=C(OCC)[C@H]1[C@H](C(=O)OCC)C1
2. InChI:InChI=1/C9H14O4/c1-3-12-8(10)6-5-7(6)9(11)13-4-2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
3. InChIKey:SXLDHZFJMXLFJU-RNFRBKRXBU
4. Std. InChI:InChI=1S/C9H14O4/c1-3-12-8(10)6-5-7(6)9(11)13-4-2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
5. Std. InChIKey:SXLDHZFJMXLFJU-RNFRBKRXSA-N