CAS No.35969-54-1,2-ETHOXYNICOTINIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	35969-54-1
Name:	2-ETHOXYNICOTINIC ACID
Article Data:	5

Formula:	C₈H₉NO₃
Molecular Weight:	167.164
Synonyms:	2-Ethoxy-3-pyridinecarboxylicacid;2-Ethoxynicotinic acid;2-ethoxypyridine-3-carboxylic acid;2-Ethoxy-3-pyridinecarboxylic acid;2-Ethoxynicotinic acid;3-Pyridinecarboxylic acid, 2-ethoxy-;
Density:	1.231 g/cm³
Melting Point:	90-92°C
Boiling Point:	297 °C at 760 mmHg
Flash Point:	133.4 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	59.42000
LogP:	1.17850

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Specification

The 3-Pyridinecarboxylicacid, 2-ethoxy-, with the CAS registry number 35969-54-1, has the systematic name and IUPAC name of 2-ethoxypyridine-3-carboxylic acid. It is a kind of irritant chemical, and the molecular formula of the chemical is C₈H₉NO₃.

The characteristics of 3-Pyridinecarboxylicacid, 2-ethoxy- are as followings: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): -2.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 48.42 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 42.58 cm³; (15)Molar Volume: 135.6 cm³; (16)Polarizability: 16.88×10^-24cm³; (17)Surface Tension: 49.5 dyne/cm; (18)Density: 1.231 g/cm³; (19)Flash Point: 133.4 °C; (20)Enthalpy of Vaporization: 56.69 kJ/mol; (21)Boiling Point: 297 °C at 760 mmHg; (22)Vapour Pressure: 0.000625 mmHg at 25°C.

Preparation of 3-Pyridinecarboxylicacid, 2-ethoxy-: This chemical can be prepared by 2-chloro-nicotinic acid and ethanol. The reaction will need reagent potassium t-butoxide. The reaction time is 6 hours with temperature of 170°C, and the yield is about 86%.

Uses of 3-Pyridinecarboxylicacid, 2-ethoxy-: It can be used to produce 5-chloro-2-ethoxy-nicotinic acid. This reaction will need reagent aq. sodium hypochlorite, and the yield is about 61%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1cccnc1OCC
(2)InChI: InChI=1/C8H9NO3/c1-2-12-7-6(8(10)11)4-3-5-9-7/h3-5H,2H2,1H3,(H,10,11)
(3)InChIKey: XCMJQQOMGWGGSI-UHFFFAOYAN