Propanedinitrile
Malononitrile
CAS: 109-77-3
Molecular Formula: C3H2N2
Propanedinitrile - Names and Identifiers
| Name | Malononitrile |
| Synonyms | MDN Malonitrile Malononitrile Dicyanomethane MALONODINITRILE Malonodinitrile Propanedinitrile Cyanoacetonitrile AKOS BBS-00004370 METHYLENE CYANIDE METHYLENE DICYANIDE Malononitrile(form1) MALONIC ACID DINITRIL N-(4-Fluorobenzoyl)piperidine |
| CAS | 109-77-3 |
| EINECS | 203-703-2 |
| InChIKey | CUONGYYJJVDODC-UHFFFAOYSA-N |
Propanedinitrile - Physico-chemical Properties
| Molecular Formula | C3H2N2 |
| Molar Mass | 66.06 |
| Density | 1.049 g/mL at 25 °C (lit.) |
| Melting Point | 30-32 °C (lit.) |
| Boling Point | 220 °C (lit.) |
| Flash Point | 234°F |
| Water Solubility | 13.3 g/100 mL (20 ºC) |
| Solubility | 133g/l |
| Vapor Presure | 1 hPa (50 °C) |
| Appearance | Crystalline Low Melting Mass |
| Specific Gravity | 1.049 |
| Color | White to yellow-brown |
| Exposure Limit | TLV-TWA 8 mg/m3 (3 ppm) (NIOSH). |
| Merck | 14,5711 |
| BRN | 773697 |
| pKa | 11(at 25℃) |
| PH | pH : 4.5 |
| Storage Condition | 2-8°C |
| Refractive Index | 1.4150 |
| Physical and Chemical Properties | Density 1.049 melting point 30-34°C boiling point 220°C flash point 112°C water-soluble 13.3g/100 mL (20°C), soluble in water, alcohol, benzene, slightly soluble in chloroform, acetic acid. Appearance: colorless crystals saturated vapor pressure (kPa):2.67(109 ℃) heat of combustion (kJ/mol):1650.3 |
| Use | For pharmaceutical, is the drug triamterene Intermediate; For organic synthesis, gold leaching agent. |
Propanedinitrile - Risk and Safety
| Risk Codes | R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S23 - Do not breathe vapour. S27 - Take off immediately all contaminated clothing. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN 2647 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | OO3150000 |
| FLUKA BRAND F CODES | 8 |
| TSCA | Yes |
| HS Code | 29269090 |
| Hazard Class | 6.1 |
| Packing Group | II |
| Toxicity | LD50 i.p. in mice: 12.9 mg/kg (Jones, Israel) |
Propanedinitrile - Upstream Downstream Industry
| Downstream Products | 1,4,5,8-naphthalenetetracarboxylic acid hydrate |
Propanedinitrile - Nature
Open Data Verified Data
colorless crystals. Relative density 1. 1910(20 ℃), melting point 32 ℃, boiling point 218~219 ℃, refractive index (34.2 ℃), flash point 112 ℃. Soluble in water, acetone and benzene, soluble in ethanol, ether, chloroform-soluble, acetic acid.
Last Update：2025-06-10 22:55:16
Propanedinitrile - Preparation Method
Open Data Verified Data
- commonly used dehydrating agents for the cyanoacetamide dehydration method include phosphorus oxychloride, phosphorus pentoxide, and phosphorus pentachloride.
- aminolysis of Allene by oxidation
- reaction of acetonitrile with Cyanogen chloride
Last Update：2022-01-01 10:37:00
Propanedinitrile - Application
Open Data Verified Data
raw materials for organic synthesis. Medicine, for the synthesis of vitamin B1, triamterene and a series of important drugs; Dyes, pesticides and other aspects have important uses.
Last Update：2025-08-19 16:24:40
Propanedinitrile - Safety
Open Data Verified Data
This product is toxic, can make the central nervous system poisoning, cause epilepsy. The LD50 of mice by intraperitoneal injection was 12.9 mg/kg.
This product with 50kg or 200kg iron plastic drum packaging, moisture. Store in a cool and ventilated special warehouse, far away from fire and heat source; Store and transport Isolation of oxidant, acids and edible raw materials. In particular, it is necessary to avoid high heat and strict insulation from alkaline substances.
Last Update：2022-01-01 10:37:00
Propanedinitrile - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | malononitrile is a colorless solid ( |
| application | malononitrile is a nitrile organic substance, which can be used as an intermediate for pesticides and medicines. |
| Use | Malononitrile is a raw material for the preparation of 2-amino -4, 6-dimethoxypyrimidine and 2-chloro-4, 6-dimethoxypyrimidine. It can be used to produce sulfonylurea herbicides such as bensulfuron-methyl, pyrisulfuron-methyl, etc., and it can also be used to make herbicide bisoxyl, which is used to make diuretic drugs in medicine. Organic synthetic raw materials. In medicine, it is used to synthesize a series of important drugs such as vitamin B1, methotrexate, and triamterene. Dyes, pesticides and other aspects have important uses. It can also be used as an extractant for gold. China is now mainly used for the production of triamterene, bensulfuron, 1,4,5,8-naphthenic acid, pyrimidine series products. It is used in pharmaceuticals and is a drug triamterene intermediate It can be used as a raw material for organic synthesis, a pharmaceutical intermediate and an organic solvent. |
| production method | 1. the laboratory is prepared by the elimination reaction of cyanoacetamide and phosphorus oxychloride. After mixing 1260g(15mol) of cyanoacetamide, 1kg of salt and 5L of dichloroethane for 15min, 800ml(8.75mol) of phosphorus oxychloride was added. Subsequently, heat reflux for 8h. Re-cool to room temperature and filter. Wash the filter cake with 50ml of dichloroethane. Combine the filtration and washing liquid, and evaporate the solvent to obtain crude malononitrile. The crude product was distilled under reduced pressure with a yield of 113-118 ℃(3.3kPa) to obtain 570-654g of product with a yield of 57-66%. 2. Oxidative ammonolysis of propene. 3. Reaction of acetonitrile with cyanogen chloride. At present, Chinese enterprises adopt the following production methods: ethyl cyanoacetate (methyl ester) → ammoniation → elimination → distillation → refining → malononitrile. the preparation method is to react with ethyl cyanoacetate and ammonia, react below 20 ℃, cool in an ice bath for 2 h, filter out the precipitate, wash the filter cake with ice water, and then recrystallize with ethanol to obtain cyanoacetamide, react with cyanoacetamide and phosphorus pentoxide, distill under reduced pressure, collect fractions below 110~120 ℃ as crude products, and then distill under reduced pressure to obtain finished products. NCCH2COOC2H5 + NH3 → NCCH2CONH2 + C2H5OHNCCH2CONH2 + P2O5 → NC-CH2-CN +2HPO3 Now the dehydrating agent uses phosphorus oxychloride, the reaction environment is improved, and the yield is also improved. |
| category | toxic substances |
| toxicity classification | highly toxic |
| acute toxicity | abdominal cavity-rat 20.55 mg/kg; Oral-mouse LD50:13 mg/kg |
| stimulation data | eyes-rabbit 5 mg/24 hours severe |
| flammability hazard characteristics | open flame combustible; high thermal decomposition |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Store separately from oxidants, acids and food additives |
| fire extinguishing agent | dry powder, foam, carbon dioxide, sand. |
| occupational standard | TWA 3 PPM |
| spontaneous combustion temperature | 365°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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Downstream Products for Propanedinitrile