3,4-Dihydroxybenzaldehyde CAS No.:139-85-5
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Category：Pharmaceutical Materials Own Brand：MT /MOQ:100KG /From China/ B2B only.
Introduction
Usage： Used as pharmaceutical intermediates. This product has the effects of anti-inflammatory and increasing coronary blood flow. It is also used for perfume synthesis.
Packaging and Shipping： 25KG/drum or as per buyer requirement.
Storage: Stored in a dry and ventilated warehouse; keep away from sunshine; avoid fire; avoid moisture.
| Chemical Formula | C₇H₆O₃ |
| Molecular Weight | 138.12 g/mol |
| Appearance | Brown powder |
| Density | 1.4 ± 0.1 g/cm³ |
| Boiling Point | 295.4 ± 20.0 °C at 760 mmHg |
| Melting Point | 150–157 °C |
| Flash Point | 146.7 ± 18.3 °C |
| Solubility | Soluble in hot water, ethanol, and ether |
| Applications | Organic synthesis intermediate; anti-inflammatory and coronary blood flow enhancer; fragrance synthesis |
| Safety Information | Irritating to skin and eyes; wear protective gear; ensure ventilation; dispose of waste properly |
| Regulatory Status | CAS No.: 139-85-5; EINECS No.: 205-377-7 |
Names and Identifiers
| Name | 3,4-Dihydroxybenzaldehyde |
| Synonyms | AURORA 17180 AKOS BBS-00003254 PROTOCATECHUALDEHYDE Protocatechualdehyde PROTOCATECHUIC ALDEHYDE protocatechuic aldehyde 3,4-DIHYDROXYBENZALDEHYDE 3,4-dihydroxy-benzaldehyd 3,4-Dihydroxybenzaldehyde 3,4-Dihydroxy benzlaldehyde 3, 4-Dihydroxy benzlaldehyde 4-FORMYL-1,2-DIHYDROXYBENZENE 1,2-Dihydroxy-4-formylbenzene 4-FORMYL-1,2-Dihydroxybenzene 3,4-Dihydroxybenzaldehyd (Protocatechualdehyde) |
| CAS | 139-85-5 |
| EINECS | 205-377-7 |
| InChI | InChI=1/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H |
Physico-chemical Properties
| Molecular Formula | C7H6O3 |
| Molar Mass | 138.12 |
| Density | 1.2667 (rough estimate) |
| Melting Point | 150-157°C(lit.) |
| Boling Point | 213.5°C (rough estimate) |
| Flash Point | 146.7°C |
| Water Solubility | 50 g/L (20 ºC) |
| Solubility | Soluble in ethanol, acetone, ethyl acetate, ether and hot water, soluble in cold water, insoluble in benzene and chloroform. |
| Vapor Presure | 0.000867mmHg at 25°C |
| Appearance | Pale beige needle crystal |
| Color | slightly brown |
| Merck | 14,7893 |
| BRN | 774381 |
| pKa | pK (25°) 7.55 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Incompatible with strong bases, strong oxidizing agents. |
| Sensitive | Air Sensitive |
| Refractive Index | 1.4600 (estimate) |
| MDL | MFCD00003370 |
| Physical and Chemical Properties | Light yellow crystals, mp/152~154 ° C (melting decomposition), dissolved in water, but also soluble in ethanol, ether, chloroform and other organic solvents. |
| Use | An important pharmaceutical intermediate that can be used to synthesize a variety of antibiotics and anti-inflammatory drugs |
Risk and Safety
| Hazard Symbols | Xi – Irritant |
| Risk Codes | R36/37/38 – Irritating to eyes, respiratory system and skin. R22 – Harmful if swallowed |
| Safety Description | S26 – In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 – Wear suitable protective clothing. S37/39 – Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| RTECS | UL0380000 |
| FLUKA BRAND F CODES | 9 |
| HS Code | 29124900 |
| Hazard Note | Irritant/Air Sensitive |
Reference Information
| Use | Used in organic synthesis; pharmaceutical intermediates, which can be used to synthesize a variety of antibiotics and anti-inflammatory drugs, have anti-inflammatory and increase coronary blood flow The effect is an effective ingredient in the anti-angina pectoris of Sijiqing leaves, and one of the main effective ingredients in the treatment of nephritis; it is also used in spice synthesis. an important pharmaceutical intermediate, can be used to synthesize a variety of antibiotics and anti-inflammatory drugs for organic synthesis properties: light yellow flake crystal. Easily soluble in ether, 79g in 100ml of ethanol at 78 ℃, 5g in 100ml of water at 20 ℃, 33g in 100ml of water at 99 ℃, slightly soluble in benzene and petroleum ether. Melting point 153~154 ℃ (decomposition). Median lethal dose (mouse, vein) 56mg/kg. It’s irritating. Purpose: Biochemical research. Organic synthesis |
| principle of action | has the effect of dilating coronary arteries and increasing coronary blood flow; the effect on the heart and peripheral blood vessels; inhibiting platelet aggregation; antibacterial and anti-inflammatory effects; Calcium antagonism; repair damaged venous valves and treat varicose veins. |
| production method | is prepared from 3,4-methylene dioxybenzaldehyde through the following steps. The newly treated phosphorus pentachloride is added to 3, 4-methylenedioxybenzaldehyde in several times. The reaction is very violent at the beginning, and ice water is needed to cool it. At the same time, moisture intrusion should be prevented. After about half of the phosphorus pentachloride is added, the strain is slow and can no longer be cooled. The amount of phosphorus pentachloride is 3 times (mol) of 3, 4-methylenedioxybenzaldehyde. The obtained reaction solution is slowly heated for 1h, hydrogen chloride is released, and volatiles are extracted under reduced pressure. Then, the reactants are poured into cold water, and the precipitated emulsion oil layer is placed and solidified. Boil slowly for 3h, filter with activated carbon, concentrate the filtrate under reduced pressure, cool to 0 ℃, and precipitate crystallization. After filtration and washing, recrystallize with water to obtain the finished product. |
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