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| CAS No.: | 179028-65-0 |
|---|---|
| Name: | 2-Cyano-5-methoxybenzoic acid |
| Molecular Structure: | |
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| Formula: | C9H7NO3 |
| Molecular Weight: | 177.16 |
| Synonyms: | 2-Cyano-5-methoxybenzoicacid; |
| Density: | 1.32g/cm3 |
| Melting Point: | 218-220°C |
| Boiling Point: | 397.177 °C at 760 mmHg |
| Flash Point: | 194.006 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 20/21/22 |
| Safety: | 26-36/37/39 |
| Transport Information: | 26-36/37/39 |
| PSA: | 70.32000 |
| LogP: | 1.26508 |
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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