-
Name
2-CHLORO-5-NITRONICOTINIC ACID ETHYL ESTER
- EINECS
- CAS No. 151322-83-7
- Article Data4
- CAS DataBase
- Density 1.433 g/cm3
- Solubility
- Melting Point
- Formula C8H7ClN2O4
- Boiling Point 333.4 °C at 760 mmHg
- Molecular Weight 230.61
- Flash Point 155.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms ethyl 2-chloro-5-nitropyridine-3-carboxylate
- PSA 85.01000
- LogP 2.34310
3-Pyridinecarboxylicacid, 2-chloro-5-nitro-, ethyl ester Specification
The 3-Pyridinecarboxylicacid, 2-chloro-5-nitro-, ethyl ester is an organic compound with the formula C8H7ClN2O4. The systematic name of this chemical is Ethyl 2-chloro-5-nitropyridine-3-carboxylate. With the CAS registry number 151322-83-7, it is also named as Ethyl 2-chloro-5-nitronicotinate. The product's categories are Pyridine; Boronic Acid. Besides, its molecular weight is 230.61.
Physical properties about 3-Pyridinecarboxylicacid, 2-chloro-5-nitro-, ethyl ester are: (1)ACD/LogP: 1.56; (2)ACD/LogD (pH 5.5): 1.56; (3)ACD/LogD (pH 7.4): 1.56; (4)ACD/BCF (pH 5.5): 9.06; (5)ACD/BCF (pH 7.4): 9.06; (6)ACD/KOC (pH 5.5): 168.59; (7)ACD/KOC (pH 7.4): 168.59; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 85.01 Å2; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 52.19 cm3; (13)Molar Volume: 160.8 cm3; (14)Polarizability: 20.69×10-24 cm3; (15)Surface Tension: 54.6 dyne/cm; (16)Density: 1.433 g/cm3; (17)Flash Point: 155.4 °C; (18)Enthalpy of Vaporization: 57.63 kJ/mol; (19)Boiling Point: 333.4 °C at 760 mmHg; (20)Vapour Pressure: 0.000137 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H7ClN2O4/c1-2-15-8(12)6-3-5(11(13)14)4-10-7(6)9/h3-4H,2H2,1H3
(2)InChIKey: OXOWYVJYDSTHGX-UHFFFAOYAQ
(3)Std. InChI: InChI=1S/C8H7ClN2O4/c1-2-15-8(12)6-3-5(11(13)14)4-10-7(6)9/h3-4H,2H2,1H3
(4)Std. InChIKey: OXOWYVJYDSTHGX-UHFFFAOYSA-N
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