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2-Phenoxynicotinic acid

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Name

2-Phenoxynicotinic acid

EINECS 252-647-5
CAS No. 35620-71-4 Density 1.298 g/cm3
PSA 59.42000 LogP 2.57210
Solubility N/A Melting Point 172-175 ºC
Formula C12H9NO3 Boiling Point 368.5 °C at 760 mmHg
Molecular Weight 215.208 Flash Point 176.7 °C
Transport Information N/A Appearance beige powder
Safety 26-37 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 35620-71-4 (2-Phenoxynicotinic acid) Hazard Symbols N/A
Synonyms

2-Phenoxy-3-pyridinecarboxylicacid;3-Pyridinecarboxylicacid, 2-phenoxy-;3-Carboxy-2-phenoxypyridine;

Article Data 8

2-Phenoxynicotinic acid Specification

The 2-Phenoxynicotinic acid, with the CAS registry number 35620-71-4, is also known as 3-Carboxy-2-phenoxypyridine. It belongs to the product category of Heterocyclic Compounds. Its EINECS number is 252-647-5. This chemical's molecular formula is C12H9NO3 and molecular weight is 215.2. Its classification code is Drug/Therapeutic Agent. What's more, its systematic name is 2-phenoxypyridine-3-carboxylic acid. It should be sealed and stored in a cool and dry place. 

Physical properties of 2-Phenoxynicotinic acid are: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.54; (4)ACD/LogD (pH 7.4): -2.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 48.42 Å2; (11)Index of Refraction: 1.613; (12)Molar Refractivity: 57.71 cm3; (13)Molar Volume: 165.7 cm3; (14)Surface Tension: 56.5 dyne/cm; (15)Density: 1.298 g/cm3; (16)Flash Point: 176.7 °C; (17)Enthalpy of Vaporization: 64.9 kJ/mol; (18)Boiling Point: 368.5 °C at 760 mmHg; (19)Vapour Pressure: 4.42E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cccnc2Oc1ccccc1
(2)InChI: InChI=1S/C12H9NO3/c14-12(15)10-7-4-8-13-11(10)16-9-5-2-1-3-6-9/h1-8H,(H,14,15)
(3)InChIKey: CQGAXJGXGLVFGJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1200mg/kg (1200mg/kg)   French Medicament Patent Document. Vol. #7766M.

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