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CAS No.: | 10138-32-6 |
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Name: | ETHYL 5-NORBORNENE-2-CARBOXYLATE (MIXTURE OF ENDO AND EXO) |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C10H14O2 |
Molecular Weight: | 166.22 |
Synonyms: | 5-Norbornene-2-carboxylicacid, ethyl ester (6CI,7CI);5-Norbornenecarboxylic acid ethyl ester;Ethyl 5-norbornene-2-carboxylate; |
Density: | 1.089 g/cm3 |
Boiling Point: | 216.164 °C at 760 mmHg |
Flash Point: | 75.303 °C |
PSA: | 26.30000 |
LogP: | 1.76170 |
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The Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid, ethyl ester, with the CAS registry number 10138-32-6, is also known as 5-Norbornenecarboxylic acid ethyl ester. It belongs to the product category of Norbornene Derivatives. This chemical's molecular formula is C10H14O2 and molecular weight is 166.22. What's more, its systematic name is called Ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.
Physical properties about Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid, ethyl ester are: (1)ACD/LogP: 3.534; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/LogD (pH 7.4): 3.53; (5)ACD/BCF (pH 5.5): 285.59; (6)ACD/BCF (pH 7.4): 285.59; (7)ACD/KOC (pH 5.5): 1992.61; (8)ACD/KOC (pH 7.4): 1992.61; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 45.522 cm3; (15)Molar Volume: 152.625 cm3; (16)Polarizability: 18.046×10-24cm3; (17)Surface Tension: 37.818 dyne/cm; (18)Density: 1.089 g/cm3; (19)Flash Point: 75.303 °C; (20)Enthalpy of Vaporization: 45.252 kJ/mol; (21)Boiling Point: 216.164 °C at 760 mmHg; (22)Vapour Pressure: 0.142 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)C1CC2/C=C\C1C2
(2) InChI: InChI=1S/C10H14O2/c1-2-12-10(11)9-6-7-3-4-8(9)5-7/h3-4,7-9H,2,5-6H2,1H3
(3) InChIKey: FCCGTJAGEHZPBF-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | > 5mL/kg (5mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
rat | LD50 | oral | 4290uL/kg (4.29mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. |