Basic information
- Name:
5-Formylsalicylic acid
- CAS No.:
616-76-2
- Molecular Structure:
- Formula:
- C8H6O4
- Molecular Weight:
- 166.13
- Synonyms:
- 5-formyl-2-hydroxy-benzoic acid;5-formyl-2-hydroxy-benzoate;5-Formylsalicy Acid;
- EINECS:
- 210-492-0
- Density:
- 1.482 g/cm3
- Melting Point:
- 250 °C (dec.)(lit.)
- Boiling Point:
- 361.2 °C at 760 mmHg
- Flash Point:
- 186.5 °C
- Appearance:
- light beige fine crystalline powder
- Risk Codes:
- 36/37/38
- Safety Description:
- 22-24/25 Details
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Specification
The 5-Formylsalicylic acid , with cas registry number of 616-76-2, belongs to categories of Intermediates of Dyes and Pigments; Acids and Derivatives; Carbonyl Compounds; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzene derivatives. With appearance of light beige fine crystalline powder, it is also known as 2-Hydroxy-5-formylbenzoic acid . Both systematic name and IUPAC name are called the same which is 5-formyl-2-hydroxybenzoic acid .
Physical properties about this chemical are: (1) ACD/LogP: 2.25 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): -0.82 ; (4) ACD/LogD (pH 7.4): -0.9 ; (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: 2 ; (11) #Freely Rotating Bonds: 3 ; (12) Index of Refraction: 1.669 ; (13) Molar Refractivity: 41.81 cm3 ; (14) Molar Volume: 112 cm3 ; (15) Surface Tension: 74.7 dyne/cm ; (16) Density: 1.482 g/cm3 ; (17) Flash Point: 186.5 °C ; (18) Enthalpy of Vaporization: 64.05 kJ/mol ; (19) Boiling Point: 361.2 °C at 760 mmHg ; (20) Vapour Pressure: 7.53E-06 mmHg at 25°C.
Uses of 5-Formylsalicylic acid : this chemical can react with nitromethane to give 5-(2-Nitroethenyl)salicylic acid .
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This reaction will need reagent n-butylamine , solvent Acetic acid and other conditions like heating. The reaction time is about 3 hours. The yield is 48%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. So when you are using it, avoid contact with skin and eyes. And do not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(O)c1cc(ccc1O)C=O ;
(2)InChI:InChI=1/C8H6O4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H,(H,11,12);
(3)InChIKey:UTCFOFWMEPQCSR-UHFFFAOYAO
