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2-Cyano-5-methoxybenzoic acid

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Name

2-Cyano-5-methoxybenzoic acid

EINECS N/A
CAS No. 179028-65-0 Density 1.32g/cm3
PSA 70.32000 LogP 1.26508
Solubility N/A Melting Point 218-220°C
Formula C9H7NO3 Boiling Point 397.177 °C at 760 mmHg
Molecular Weight 177.16 Flash Point 194.006 °C
Transport Information 26-36/37/39 Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 179028-65-0 (2-Cyano-5-methoxybenzoic acid) Hazard Symbols IrritantXi
Synonyms

2-Cyano-5-methoxybenzoicacid;

 

2-Cyano-5-methoxybenzoic acid Specification

The 2-Cyano-5-methoxybenzoic acid, its cas register number is 179028-65-0. It also can be called as Benzoic acid,2-cyano-5-methoxy- and the IUPAC name about this chemicals is 2-Cyano-5-methoxybenzoic acid. It belongs to the following product categories, such as Carboxylic Acids, Phenyls & Phenyl-Het, Carboxylic Acids, Phenyls & Phenyl-Het and so on.

Following are the chemical properties about 2-Cyano-5-methoxybenzoic acid: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 70.32Å2; (5)Index of Refraction: 1.573; (6)Molar Refractivity: 43.961 cm3; (7)Molar Volume: 133.363 cm3; (8)Polarizability: 17.428x10-24cm3; (9)Surface Tension: 60.605 dyne/cm; (10)Enthalpy of Vaporization: 68.294 kJ/mol; (11)Vapour Pressure: 0 mmHg at 25°C

The 2-Cyano-5-methoxybenzoic acid is a dangerous chemical, because it is harmful by inhalation, in contact with skin and if swallowed. In the using process, please be more careful, you need to wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Except these safety informations, there are also exist other data like Hazard Note is Irritant.

This chemical can be described computed from structure:
(1)Canonical SMILES: COC1=CC(=C(C=C1)C#N)C(=O)O
(2)InChI: InChI=1S/C9H7NO3/c1-13-7-3-2-6(5-10)8(4-7)9(11)12/h2-4H,1H3,(H,11,12) 
(3)InChIKey: GIVYSLAWUDQJKC-UHFFFAOYSA-N

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