OCBA(2-Chlorobenzaldehyde )
2-Chlorobenzaldehyde
CAS: 89-98-5
Molecular Formula: C7H5ClO
OCBA(2-Chlorobenzaldehyde ) - Names and Identifiers
OCBA(2-Chlorobenzaldehyde ) - Physico-chemical Properties
| Molecular Formula | C7H5ClO |
| Molar Mass | 140.57 |
| Density | 1.248 g/mL at 25 °C (lit.) |
| Melting Point | 9-11 °C (lit.) |
| Boling Point | 209-215 °C (lit.) |
| Flash Point | 190°F |
| Water Solubility | 0.1-0.5 g/100 mL at 24 ºC |
| Solubility | 1.8g/l |
| Vapor Presure | 1.27 mm Hg ( 50 °C) |
| Vapor Density | 4.84 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless to light yellow |
| BRN | 385877 |
| PH | 2.9 (H2O)(saturated aqueous solution) |
| Storage Condition | Store in RT |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases, iron, strong reducing agents. Moisture and light-sensitive. |
| Sensitive | Air Sensitive |
| Refractive Index | n20/D 1.566(lit.) |
| Physical and Chemical Properties | Colorless or pale yellow oily liquid. Melting point 12.39 ℃(11 ℃), boiling point 211.9 ℃(213-214 ℃),84.3 ℃(1.33kPa), relative density 1.2483(20/4 ℃), refractive index 1.5662. Flash point 87. Slightly soluble in water, soluble in ethanol, ether, acetone and benzene. There is a strong aldehyde odor. |
| Use | Used as dye, pesticide, pharmaceutical intermediates |
OCBA(2-Chlorobenzaldehyde ) - Risk and Safety
| Risk Codes | 34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 3265 8/PG 3 |
| WGK Germany | 1 |
| RTECS | CU5075000 |
| FLUKA BRAND F CODES | 8-9-23 |
| TSCA | Yes |
| HS Code | 29130000 |
| Hazard Note | Irritant |
| Hazard Class | 8 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 2160 mg/kg |
OCBA(2-Chlorobenzaldehyde ) - Upstream Downstream Industry
| Raw Materials | 2-Chlorotoluene 2-Chlorotoluene Chlorine |
| Downstream Products | 2-Chloro-5-nitrobenzaldehyde Clofentezine |
OCBA(2-Chlorobenzaldehyde ) - Reference Information
| LogP | 2.44 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | M-chlorobenzaldehyde is an intermediate of the plant growth regulator indyl ester. It is used as intermediate of medicine and dye. The dead Net of pesticide mites produced by O-chlorobenzaldehyde can control the mites on dry crops and fruit trees. O-chlorobenzoxime can be obtained by O-chlorobenzoxime oximation, and O-chlorobenzoxime can be obtained by further chlorination, which are all drug intermediates. used as dye, pesticide, pharmaceutical intermediate used as dye intermediate, also used in organic synthesis O-chlorobenzaldehyde, also known as 2-chlorobenzaldehyde, is the raw material for the synthesis of acaricide tetrarazine, it can also be used for the synthesis of another new acaricide, new species of fluxazine, and can also be used as a pharmaceutical, dye intermediate. important pharmaceutical, fuel and pesticide intermediates. It is mainly used in medicine for synthesis of ampicillin (Cloxacillin). zinc plating brightener, mainly used in the manufacture of O-chlorobenzenes, O-chlorobenzenes chloride and chlorbenzoxazole penicillin sodium and other pharmaceutical raw materials, is also widely used in the manufacture of pesticides on the high-efficiency acaricide, raw materials for dead-clean products of mites. determination of sorbitol. Preparation of triphenylmethane. Dye Intermediates. |
| production methods | O-chlorobenzaldehyde has the following 3 synthetic methods. (1) O-chlorotoluene chlorination, hydrolysis method from O-chlorotoluene by chlorination, hydrolysis and. (1) chlorination O-chlorotoluene, phosphorus trichloride and thionyl chloride are heated to 150 ° C., and chlorine gas is passed to a theoretical amount under ultraviolet irradiation to obtain O-chlorobenzylidene dichloride. (2) ice solution the mixture of O-chlorobenzylidene dichloride and zinc chloride is heated at 120~130 ℃, and 1% ferric chloride aqueous solution is added dropwise with stirring, then heated and refluxed with water, the separated oil layer is refined O-chlorobenzaldehyde. In addition, the hydrolysis may also be performed in the presence of sulfuric acid. Stir O-chlorobenzylidene dichloride and industrial concentrated sulfuric acid together, and slowly heat for 12h to keep the temperature at 30~40 ℃ until the temperature is automatically lowered and the evolution of hydrogen chloride is slowed down, after stratification with cold water, the oily matter is separated, washed and distilled by steam to obtain the finished product. (2) O-chlorotoluene chlorination, oxidation of O-chlorotoluene in the methyl chloride after nitric acid oxidation. To a 3.0 ML Photo-reactor equipped with a thermometer, a stirrer, a chlorine gas blowing tube, a reflux condenser and a high-pressure mercury lamp illumination device, 380g (130 mol) of O-chlorotoluene was added and heated to ° C, under the light, the chlorine gas was blown into 1.5G/h (3.6 mol/h), and the time was h. A total of 5.4mol chlorine gas was introduced. After completion of the reaction, dry nitrogen was introduced into the reaction solution to drive out hydrogen chloride and chlorine gas to obtain a total of 558g of reaction solution, Among them, O-chlorotoluene 0.5%(mol), O-chlorobenzyl chloride 28%, O-chloro dichlorotoluene 67%, O-chloro trichlorotoluene 3%, O-chloro-chlorotoluene the average degree of chlorination is 1.8. To a 2 L three-necked flask with thermometer, stirrer and reflux condenser, add 64.7g(0.343mol), 3%(mass fraction) of the above chlorinated mixture of O-chlorotoluene. 1440g of nitric acid and 2.0g of vanadium pentoxide were heated under reflux for 6h with stirring. After completion of the reaction, the reaction mixture was cooled, 200ml of toluene was added, the oil phase was separated, and the aqueous layer was extracted twice by adding 100ml of toluene. The oil phase and the extract were combined, toluene was distilled off, and the residue was distilled to obtain 36g of O-chlorobenzaldehyde from the 107~110 ℃(4.0kPa) fraction, with a yield of 73.5% based on O-chlorotoluene. (3) O-chloro-dichlorotoluene was prepared by Catalytic Hydrolysis of O-chloro-dichlorotoluene. Preparation example 1 0.034g of zinc oxide (1mol of raw material, 0.00084mol) was added to 97.7g of O-chlorotoluene, heated to 110 °c with stirring, and then 9.45ml of water was added slowly, the reaction was carried out at 110-120 ℃ for 1.9h. After analysis and confirmation that the raw material O-chloro-dichlorotoluene completely disappeared, vacuum distillation was carried out under a nitrogen stream to collect a fraction at 97.1-98.3 ° C. (2.8kPa) to obtain 68.6g of O-chlorobenzaldehyde, with a yield of 97.6% and a content of 99.8%. Preparation example 2 O-chloro dichlorotoluene 0.3g/min and water vapor 3g/min were added dropwise to the reactor, and 110 of water was added to the reactor in advance, and the water temperature was °c. The resulting mixture of O-chloro-dichlorotoluene and water vapor was passed through a reaction tube layer of 50g of 5-10 mesh trialumina which had been heated to 118 ° C., and the resulting gas was cooled to obtain a suspension, which was extracted with diethyl ether and dried, the ether was distilled off and distilled under reduced pressure under a nitrogen stream to collect fractions at 96-98 ° C. (2.93kPa) to obtain 68.8g of O-chlorobenzaldehyde, with a yield of 95.7% and a content of 97.8%. The O-chlorotoluene side chain by chlorine and phosphorus trichloride chlorination process, Catalytic Hydrolysis, distillation refined. The preparation method is to use benzaldehyde as a raw material, add a small amount of aluminum trichloride in the solvent dichloroethane as a catalyst for chlorination, and the reaction temperature is 25-30 ° C. To obtain the product. It can also be prepared by chlorination and hydrolysis of M-chlorotoluene. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 2160 mg/kg; Oral-mouse LD50: 1900 mg/kg |
| flammability hazard characteristics | toxic chloride fumes from thermal decomposition |
| storage and transportation characteristics | low temperature ventilation and drying |
| extinguishing agent | water, carbon dioxide, foam, dry powder |
| spontaneous combustion temperature | 746 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 15:16:53
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OCBA(2-Chlorobenzaldehyde )
CUPRIC GLYCINATE
乙酰氨酸丙二酸二乙酯
5-溴-6-氯-3-吲哚基β-D-葡糖苷酸环己铵盐
(-)-4-AMINO-2-FLUOROBUTYRIC ACID
VINYLDIMETHYLETHOXYSILANE
CUPRIC GLYCINATE
乙酰氨酸丙二酸二乙酯
5-溴-6-氯-3-吲哚基β-D-葡糖苷酸环己铵盐
(-)-4-AMINO-2-FLUOROBUTYRIC ACID
VINYLDIMETHYLETHOXYSILANE
Raw Materials for OCBA(2-Chlorobenzaldehyde )
Downstream Products for OCBA(2-Chlorobenzaldehyde )