623-03-0
4-Chlorobenzonitrile
CAS: 623-03-0
Molecular Formula: C7H4ClN
623-03-0 - Names and Identifiers
| Name | 4-Chlorobenzonitrile |
| Synonyms | PCBN AKOS B004081 P-CHLORBENZONITRILE 4-CHLOROBENZONITRILE p-chlorobenzonitrile 4-chloro-benzonitril P-CHLOROBENZONITRILE 4-CYANOCHLOROBENZENE 4-Chlorobenzonitrile LABOTEST-BB LT01147713 |
| CAS | 623-03-0 |
| EINECS | 210-765-4 |
| InChI | InChI=1/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H |
| InChIKey | GJNGXPDXRVXSEH-UHFFFAOYSA-N |
623-03-0 - Physico-chemical Properties
| Molecular Formula | C7H4ClN |
| Molar Mass | 137.57 |
| Density | 1,2 g/cm3 |
| Melting Point | 90-93°C(lit.) |
| Boling Point | 223°C(lit.) |
| Flash Point | 108 °C |
| Water Solubility | insoluble |
| Solubility | 0.245g/l practically insoluble |
| Vapor Presure | 6.67hPa at 80.4℃ |
| Appearance | White to yellow crystals |
| Color | White to yellow |
| BRN | 1072122 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.4530 (estimate) |
| MDL | MFCD00001813 |
| Physical and Chemical Properties | Appearance: White needle-like crystals |
| Use | Used as a dye, pharmaceutical intermediate, and other fine chemicals |
623-03-0 - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R20/22 - Harmful by inhalation and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S23 - Do not breathe vapour. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | 3439 |
| WGK Germany | 2 |
| RTECS | DI2800000 |
| TSCA | Yes |
| HS Code | 29269095 |
| Hazard Note | Harmful |
| Hazard Class | 6.1(b) |
| Packing Group | III |
623-03-0 - Introduction
Insoluble in water.
Last Update：2022-10-16 17:27:18
623-03-0 - Reference Information
| LogP | 2.47 at 20℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | 4-chlorobenzonitrile is an organic compound with the chemical formula ClC6H4CN. It is a white solid and is one of the three isomers of chlorobenzonitrile. It is produced industrially from the ammoxidation of 4-chlorotoluene. It is a commercial intermediate for some coatings. |
| preparation | 224g of V2O5 is added to a solution consisting of 490 ml of water and 468G of oxalic acid at a temperature of 80 to 90 ° C, the reaction yields a vanadium oxalate solution. The weight percentage of 40% SiO2 silica sol 1250g was slowly added to the above solution under stirring, and then 864G of Cr(NO3)3 · 9H2O, A solution consisting of 12.4g KNO3 and 500 ml water, 76.4G H3BO3, 85% G phosphoric acid 85.1g and 500 ml water and 43.5g (NH4) A solution consisting of 6 mo7o24.4h2o and 100 ml of water was stirred and evaporated with heating to a solids content of 40% by weight to give a viscous slurry. The catalyst precursor formed by spray drying of the above slurry was pre-calcined at 300 ° C. For 2 hours, and then calcined at 650 ° C. For 5 hours to obtain a catalyst with an atomic ratio of: δ/SiO2, catalyst main weight ratio 50/50. Catalyst performance evaluation process conditions: P-chlorotoluene: Ammonia: Air = 1: 4: 25 (MOL), Catalyst weight load (WWH)0.05 H -1, reaction temperature 420 ℃, the reaction pressure was 0.01MPa. Reaction results: P-chlorotoluene conversion 99.6% p-chlorobenzonitrile selectivity 91.5% p-chlorobenzonitrile yield 91.1%. |
| Use | dye, pharmaceutical and pesticide intermediates. used as dye and pharmaceutical intermediate |
| category | toxic substances |
| toxicity grade | high toxicity |
| Acute toxicity | oral-mouse LD50: > 300 mg/kg; Intraperitoneal-mouse LD50: 150 mg/kg |
| stimulation data | eyes-rabbits 100 mg/24 h moderate |
| flammability hazard characteristics | flammable when exposed to heat; Reaction with water and acid to form toxic cyanide; Thermal decomposition to discharge toxic nitrogen oxides, cyanide and chloride fumes |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Waterproof, moisture-proof, and acid, oxidant, separate storage of food raw materials |
| fire extinguishing agent | carbon dioxide, foam, dry powder |
Last Update：2024-04-09 20:52:54
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