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CAS No.: | 619-12-5 |
---|---|
Name: | 4-FORMYL-3-HYDROXYBENZOIC ACID |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H6O4 |
Molecular Weight: | 166.133 |
Synonyms: | Terephthalaldehydicacid, 3-hydroxy- (8CI);4-Formyl-3-hydroxybenzoic acid;NSC 249767; |
Density: | 1.482 g/cm3 |
Melting Point: | 235-240 °C(lit. ) |
Boiling Point: | 355 °C at 760 mmHg |
Flash Point: | 182.7 °C |
Appearance: | WHITE TO TAN TO FAINT GREEN POWDER,CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/38-43 |
Safety: | 26-36 |
PSA: | 74.60000 |
LogP: | 0.90290 |
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The Benzoic acid, 4-formyl-3-hydroxy-, with the CAS registry number of 619-12-5, is also known as 3-Hydroxy-4-formylbenzoic acid and 4-Carboxysalicyaldehyde. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Aldehydes; C8; Carbonyl Compounds. This chemical's molecular formula is C8H6O4 and molecular weight is 166.13. What's more, its IUPAC name is 4-Formyl-3-hydroxybenzoic acid. In addition, it should be stored in dry, airtight place at room temperature. Meanwhile, it should avoid contact with light.
Physical properties about Benzoic acid, 4-formyl-3-hydroxy- are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.64; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 52.6 Å2; (12)Index of Refraction: 1.669; (13)Molar Refractivity: 41.81 cm3; (14)Molar Volume: 112 cm3; (15)Polarizability: 16.57×10-24 cm3; (16)Surface Tension: 74.7 dyne/cm; (17)Density: 1.482 g/cm3; (18)Flash Point: 182.7 °C; (19)Enthalpy of Vaporization: 63.33 kJ/mol; (20)Boiling Point: 355 °C at 760 mmHg; (21)Vapour Pressure: 1.18E-05 mmHg at 25 °C; (22)Melting Point: 235-240 °C(lit. ).
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes and skin. In addition, this chemical may cause sensitisation by skin contact. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccc(cc1O)C(=O)O
(2) InChI: InChI=1/C8H6O4/c9-4-6-2-1-5(8(11)12)3-7(6)10/h1-4,10H,(H,11,12)
(3) InChIKey: FDDHFCWYCKQKGY-UHFFFAOYAW