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CAS No.: | 826-34-6 |
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Name: | DIMETHYL CIS-1,2-CYCLOPROPANEDICARBOXYLATE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C7H10O4 |
Molecular Weight: | 158.154 |
Synonyms: | 1,2-Cyclopropanedicarboxylicacid, dimethyl ester, (1R,2S)-rel- (9CI);1,2-Cyclopropanedicarboxylic acid,dimethyl ester, cis- (8CI);(cis)-1,2-Bis(methoxycarbonyl)cyclopropane;Dimethyl cis-1,2-cyclopropanedicarboxylate;Dimethylcis-1,2-cyclopropanedicarboxylate; |
Density: | 1.231 g/cm3 |
Boiling Point: | 219.2 °C at 760 mmHg |
Flash Point: | 99 °C |
Appearance: | clear colourless liquid |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 36/37/39-26 |
PSA: | 52.60000 |
LogP: | -0.03150 |
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The 1,2-Cyclopropanedicarboxylicacid, 1,2-dimethyl ester, (1R,2S)-rel-, with the CAS registry number 826-34-6, is also known as Cyclopropane-1,2-dicarboxylic acid dimethyl ester, Z. It belongs to the product category of Cycloalkanes. This chemical's molecular formula is C7H10O4 and molecular weight is 158.15. What's more, both its IUPAC name and systematic name are the same which is called Dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate. It is clear colourless liquid.
Physical properties about 1,2-Cyclopropanedicarboxylicacid, 1,2-dimethyl ester, (1R,2S)-rel- are: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): -0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.22; (8)ACD/KOC (pH 7.4): 20.22; (9)#H bond acceptors: 4 ; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4 ; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 35.73 cm3; (15)Molar Volume: 128.4 cm3; (16)Surface Tension: 42.3 dyne/cm; (17)Density: 1.231 g/cm3; (18)Flash Point: 99 °C; (19)Enthalpy of Vaporization: 45.56 kJ/mol; (20)Boiling Point: 219.2 °C at 760 mmHg; (21)Vapour Pressure: 0.121 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and it is harmful if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)[C@@H]1[C@H](C(=O)OC)C1
(2) InChI: InChI=1/C7H10O4/c1-10-6(8)4-3-5(4)7(9)11-2/h4-5H,3H2,1-2H3/t4-,5+
(3) InChIKey: JBVOSZYUSFDYIN-SYDPRGILBX