CAS No.3999-55-1,DIETHYL TRANS-1,2-CYCLOPROPANEDICARBOXYLATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3999-55-1
Name:	DIETHYL TRANS-1,2-CYCLOPROPANEDICARBOXYLATE
Article Data:	11

Formula:	C₉H₁₄O₄
Molecular Weight:	186.21
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;
Density:	1.153 g/cm³
Boiling Point:	246.288 °C at 760 mmHg
Flash Point:	98.333 °C
Appearance:	Clear colorless to yellow liquid after melting
Safety:	24/25
PSA:	52.60000
LogP:	0.74870

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Specification

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