99-61-6
3-Nitrobenzaldehyde
CAS: 99-61-6
Molecular Formula: C7H5NO3
99-61-6 - Names and Identifiers
| Name | 3-Nitrobenzaldehyde |
| Synonyms | M-Nitrobenzldehyde m-Nitrobenzaldehyde 3-Nitrobenzaldehyde m-Nitrobenzyldehyde m-nitro benzaldehyde 3 Nitro Benzaldehyde 3-NITRO BENZALDEHYDE GR m-NITROBENZALDEHYDE pure 3-NITROBENZALDEHYDE FOR SYNTHESIS |
| CAS | 99-61-6 |
| EINECS | 202-772-6 |
| InChI | InChI=1/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H |
99-61-6 - Physico-chemical Properties
| Molecular Formula | C7H5NO3 |
| Molar Mass | 151.12 |
| Density | 1.2792 |
| Melting Point | 56 °C |
| Boling Point | 285-290 °C |
| Flash Point | 164°C/23mm |
| Water Solubility | Slightly soluble in water. |
| Solubility | Soluble in ethanol, chloroform and ether, almost insoluble in water. |
| Vapor Presure | 0.00966mmHg at 25°C |
| Vapor Density | 5.21 (vs air) |
| Appearance | Crystalline powder |
| Color | Yellow to yellow-brown |
| Merck | 14,6587 |
| BRN | 386795 |
| Storage Condition | Store below +30°C. |
| Sensitive | Air Sensitive |
| Refractive Index | 1.5800 (estimate) |
| MDL | MFCD00007249 |
| Physical and Chemical Properties | Light yellow crystal, mp:56-58 ℃; Insoluble in water, soluble in ethanol, acetone, chloroform and other organic solvents. |
| Use | For dyes, sensitive materials and drugs nitrendipine, Nimodipine, nicardipine intermediates |
99-61-6 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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. S24/25 - Avoid contact with skin and eyes. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S37/39 - Wear suitable gloves and eye/face protection S29 - Do not empty into drains. |
| UN IDs | UN3077 |
| WGK Germany | 3 |
| RTECS | CU7250000 |
| TSCA | Yes |
| HS Code | 29130000 |
| Hazard Note | Irritant |
| Toxicity | LD50 orally in Rabbit: 1075 mg/kg |
99-61-6 - Nature
Open Data Verified Data
yellow crystalline solid. The relative density was 1. 2792. Melting Point: 58-59 °c. Boiling point of 164 deg C (3. 06kPa). Almost insoluble in water, soluble in alcohol, ether, acetone, chloroform and benzene. Steam distillation can be performed.
Last Update：2024-01-02 23:10:35
99-61-6 - Preparation Method
Open Data Verified Data
prepared by nitration of benzaldehyde. Sulfuric acid was added to the reaction kettle, sodium nitrate was added while stirring, heated to 70 ℃ to dissolve it all, cooled to 5 ℃, Benzaldehyde was added dropwise, 5~10 ℃, and the reaction lasted for 1 hour, slowly add the reactants to the crushed ice, fully stir to completely precipitate, filter out the precipitate, wash off the acid with sodium carbonate at 10 °c, filter dry, and wash with alcohol to remove the O-Nitro substance, this product was obtained by drying under low temperature and reduced pressure.
Last Update：2022-01-01 10:50:34
99-61-6 - Introduction
Can volatilize with water vapor. Median lethal dose (mice, vein) 180mg/kg. It's irritating.
Last Update：2022-10-16 17:30:32
99-61-6 - Use
Open Data Verified Data
It is used in medicine for the synthesis of calcium iodophosphate, iodoanoic acid, M-hydroxylamine bitartrate, Nimodipine, nicardipine, nitrendipine and niludi.
Last Update：2022-01-01 10:50:34
99-61-6 - Safety
Open Data Verified Data
- should avoid inhalation, ingestion and skin contact, wear protective glasses, protective clothing, protective gloves.
- packaging using 25kg cardboard barrel (double plastic bag lining), stored in a cool, dry place, the container is sealed, away from strong oxidant, strong alkali.
Last Update：2022-01-01 10:50:35
99-61-6 - Reference Information
| LogP | 1.47 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| trait | M-nitrobenzaldehyde is light yellow or off-white crystals. |
| Use | M-nitrobenzaldehyde can be used as a pharmaceutical intermediate for nitrendipine, Nimodipine, nicardipine or as a dye. This product is an intermediate for organic synthesis such as medicine, dye and surfactant. It is used in the pharmaceutical industry for the synthesis of calcium iodophosphate, iodoanoic acid, M-hydroxylamine bitartrate, Nimodipine, nicardipine, nitrendipine, niludi equality. for pharmaceutical intermediates phenolics microanalysis. Intermediates in organic synthesis. used as intermediates of nitrendipine, nimodipine and nicardipine for dyes, photosensitive materials and drugs |
| production method | with benzaldehyde as raw material, Nitration is carried out with potassium nitrate, sodium nitrate or nitric acid in the presence of sulfuric acid, the yield of M-nitrobenzaldehyde was about 80%, 60% and 75%, respectively. Sulfuric acid was added into the reaction kettle, sodium nitrate was added while stirring, heated to 70 ℃ to dissolve all of it, cooled to 5 ℃, Benzaldehyde was added dropwise, 5-10 ℃ to complete the reaction for 1H, slowly add the reactants to the crushed ice, fully stir to completely precipitate, filter out the precipitate, wash off the acid with sodium carbonate at 10 °c, filter dry, and wash with alcohol to remove the O-Nitro substance, this product was obtained by drying under low temperature and reduced pressure. |
Last Update：2024-04-09 15:16:52
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