LABOTEST-BB LT00891700
4-Chlorobenzyl cyanide
CAS: 140-53-4
Molecular Formula: C8H6ClN
LABOTEST-BB LT00891700 - Names and Identifiers
| Name | 4-Chlorobenzyl cyanide |
| Synonyms | CHLOROBENZYLCYANIDE-4 LABOTEST-BB LT00891700 4-Chlorobenzyl cyanide 4-CHLOROBENZYL CYANIDE The effects of acetonitrile (4-CHLOROPHENYL)ACETONITRILE 4-CHLOROBENZYL CYANIDE FOR SYNTHESIS |
| CAS | 140-53-4 |
| EINECS | 205-418-9 |
| InChI | InChI=1/C8H6ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2 |
LABOTEST-BB LT00891700 - Physico-chemical Properties
| Molecular Formula | C8H6ClN |
| Molar Mass | 151.59 |
| Density | 1.188g/cm3 |
| Melting Point | 29-30℃ |
| Boling Point | 266°C at 760 mmHg |
| Flash Point | 107.7°C |
| Vapor Presure | 0.00887mmHg at 25°C |
| Appearance | Yellow crystal |
| Storage Condition | Room Temprature |
| Refractive Index | 1.549 |
| MDL | MFCD00001918 |
| Physical and Chemical Properties | Colorless to light yellow solid melting point 27 ℃ boiling point 265~267 ℃ flash point 110 ℃ soluble in acetone and ethanol |
| Use | Used as an intermediate of pyrimethamine and used in the synthesis of pharmaceuticals and dyes |
LABOTEST-BB LT00891700 - Risk and Safety
| Hazard Symbols | T - Toxic |
| Risk Codes | R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 2811 6.1/PG 3 |
LABOTEST-BB LT00891700 - Upstream Downstream Industry
| Raw Materials | 4-Chlorotoluene Sodium cyanide |
| Downstream Products | 4-Hydroxybenzeneacetamide Permethrin Pyrimethamine |
LABOTEST-BB LT00891700 - Nature
Open Data Verified Data
colorless to light yellow solid. The melting point was 27 °c. Boiling point 265~267 deg C. Flash point 110 °c. Soluble in acetone and ethanol.
Last Update：2024-01-02 23:10:35
LABOTEST-BB LT00891700 - Preparation Method
Open Data Verified Data
p-chlorobenzyl chloride is reacted with sodium cyanide in ethanol (or in the presence of new benzenamine in water) to obtain a finished product.
Last Update：2022-01-01 10:41:10
LABOTEST-BB LT00891700 - Application
Open Data Verified Data
an intermediate for the production of the drug pyrimethamine.
Last Update：2025-08-19 16:24:40
LABOTEST-BB LT00891700 - Safety
Open Data Verified Data
- This product is highly toxic. It is irritating to skin and eyes and has a tear-inducing effect. The workshop should strengthen ventilation, the equipment should be sealed, and the protective equipment (such as goggles, gas masks, gloves, etc.) should be worn during operation. When splash and skin, use ethanol to rinse.
- packaged in iron or plastic barrels. Storage and Transportation of highly toxic dangerous goods shall be conducted according to regulations.
Last Update：2025-06-10 22:55:16
LABOTEST-BB LT00891700 - Security information
| WGK Germany | 3 |
| RTECS number | AL8250000 |
| Hazard Note | Irritant/Toxic |
| TSCA | Yes |
| HazardClass | 6.1 |
| PackingGroup | II |
| customs code | 29269095 |
Last Update：2024-04-10 22:29:15
LABOTEST-BB LT00891700 - Nature
| storage conditions | Sealed in dry,Room Temperature |
| solubility | 0.3g/l |
| morphology | Liquid After Melting |
| color | Clear colorless to yellow |
| BRN | 971171 |
| InChIKey | IVYMIRMKXZAHRV-UHFFFAOYSA-N |
| NIST chemical information | Benzeneacetonitrile, 4-chloro-(140-53-4) |
| EPA chemical information | Benzeneacetonitrile, 4-chloro- (140-53-4) |
Last Update：2024-04-09 19:04:55
LABOTEST-BB LT00891700 - Uses and synthesis methods
chemical properties
Colorless to light yellow solid. Soluble in acetone and ethanol.
use
1. Used as an intermediate for the drug pyrimethamine and used in the synthesis of medicines and dyes.
2, p-chlorobenzyl, that is, p-chlorobenzene acetonitrile, is an intermediate for the preparation of 3-methyl-2-(4-chlorophenyl) butyric acid, which can be used to prepare fenvalerate, pyrethroid and other pyrethroid insecticides, and can be used in the pharmaceutical industry to prepare pyrimethamine.
3. Intermediate of drug pyrimethamine. Used in the manufacture of p-chlorobenzyl alcohol, p-chlorobenzaldehyde, p-chlorobenzene acetonitrile, etc.
4. synthesize intermediates of ER-330 fluorescent whitening agents, and can also be used in pesticides, medicines, etc.
production method
1. It is obtained by the reaction of p-chlorobenzyl and sodium cyanide. Add p-chlorobenzyl chloride and bromelide to the reaction pot, heat to 100 ℃, slowly add sodium cyanide aqueous solution, and react at 100-104 ℃ for 5h (add sodium cyanide for 3h, keep warm for 2h). Then water is added to dissolve sodium chloride, and the water layer is removed to obtain crude paracyrenes, distillation under reduced pressure, and 160(2.66kPa) fraction is collected to obtain the finished product. The yield is more than 81%. The product can also be prepared by refluxing benzyl chloride and sodium cyanide in ethanol at 83-85 ℃ for 4 hours. The industrial intermediate is a yellowish liquid containing p-cyanobenzyl ≥ 90%. Raw material consumption quota: 1432 kg/t of p-chlorobenzyl chloride (92%), 450 kg/t of sodium cyanide (95%) and 18 kg/t of neogeramine (above 90%).
2. The preparation method is to add solid sodium cyanide and water to the reactor, heat to 40°C to dissolve sodium cyanide, add a phase transfer catalyst, and then dropwise add p-chlorobenzyl, dropwise add temperature 40~60 ℃, after dropwise add, stir for reaction at 85 ℃ for 4 hours, and cool and post-process to obtain p-chlorobenzyl.
category
Toxic substances
toxicity classification
High toxicity
acute toxicity
Oral-rat LD50: 50 mg/kg; abdominal-mouse LD50: 27 mg/kg;
flammability hazard characteristics
Thermal decomposition discharges toxic nitrogen oxides and chloride fumes
storage and transportation features
The warehouse is ventilated and dry at low temperature; stored separately from acid
fire extinguishing agent
fog water, carbon dioxide, foam, dry powder
Last Update：2024-04-09 19:04:55
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Product Name: 4-Chlorobenzyl cyanide Visit Supplier Webpage Request for quotationCAS: 140-53-4
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Email: Int06@meryer.com
Mobile: +86-18821248368
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Product Name: 4-Chlorobenzyl cyanide Request for quotationCAS: 140-53-4
Tel: 021-60556179
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Product Name: 4-Chlorobenzyl cyanide Request for quotationCAS: 140-53-4
Tel: 0513-66814854
Email: pules.cn@gmail.com
Mobile: +86-17551318830
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Product Name: 4-Chlorobenzyl cyanide Request for quotationCAS: 140-53-4
Tel: +86-17505207175
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Product Name: 4-Chlorobenzyl cyanide Request for quotation
CAS: 140-53-4
Tel: +86 19849939632
Email: 2470479589@qq.com
Mobile: +86 19849939632
QQ: 2470479589
CAS: 140-53-4
Tel: +86 19849939632
Email: 2470479589@qq.com
Mobile: +86 19849939632
QQ: 2470479589
Multiple SpecificationsSpot supply
Product Name: (4-Chlorophenyl)acetonitrile Request for quotationCAS: 140-53-4
Tel: 400-968-2212
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Mobile: 18916960931
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Product Name: 4-Chlorobenzyl cyanide Visit Supplier Webpage Request for quotationCAS: 140-53-4
Tel: +86-400-900-4166
Email: product@acmec-e.com
Mobile: +86-18621343501
QQ: 2881950922
Wechat: 18621343501
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Product Name: 4-Chlorobenzyl cyanide Visit Supplier Webpage Request for quotationCAS: 140-53-4
Tel: 609-228-6898
Email: sales@medchemexpress.com
tech@medchemexpress.com
Mobile: 609-228-6898
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Product Name: 4-Chlorobenzyl cyanide Visit Supplier Webpage Request for quotationCAS: 140-53-4
Tel: +86 0571-86722205
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Product Name: 4-Chlorobenzyl cyanide Request for quotation
CAS: 140-53-4
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View History
Raw Materials for LABOTEST-BB LT00891700
Downstream Products for LABOTEST-BB LT00891700