111-97-7
3,3'-thiodipropiononitrile
CAS: 111-97-7
Molecular Formula: C6H8N2S
111-97-7 - Names and Identifiers
| Name | 3,3'-thiodipropiononitrile |
| Synonyms | 2-Cyanoethyl sulfide 2,2'-Thiodiethylkyanid 2,2'-thiodiethylkyanid 3,3'-thiodipropiononitrile beta,beta'-Thiodipropionitrile beta,beta'-thiodipropionitrile beta,beta-'-thiodipropionitrile beta,beta'-Dicyanodiethyl sulfide .beta.,.beta.'-Thiodipropionitrile |
| CAS | 111-97-7 |
| EINECS | 203-926-5 |
| InChI | InChI=1/C6H8N2S/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2 |
111-97-7 - Physico-chemical Properties
| Molecular Formula | C6H8N2S |
| Molar Mass | 140.21 |
| Density | 1.11g/mLat 25°C(lit.) |
| Melting Point | 24-25°C(lit.) |
| Boling Point | 191-194°C7mm Hg(lit.) |
| Flash Point | 195 °C |
| Vapor Presure | 8.7E-05mmHg at 25°C |
| BRN | 1701139 |
| Refractive Index | n20/D 1.499(lit.) |
111-97-7 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | UN 3334 |
| WGK Germany | 2 |
| RTECS | UG4375000 |
| FLUKA BRAND F CODES | 13 |
| HS Code | 29309099 |
111-97-7 - Nature
Open Data Verified Data
white or yellowish crystals with a slight sulfur odor. Relative density 1. 1095(30 ℃), melting point 26. 65 ℃, refractive index 1.5037. Soluble in acetone, chloroform, benzene.
Last Update：2024-01-02 23:10:35
111-97-7 - Preparation Method
Open Data Verified Data
prepared from acrylonitrile and sodium sulfide.
Last Update：2022-01-01 10:38:07
111-97-7 - Use
Open Data Verified Data
This product is directly alcoholized thiodipropionate, which is the raw material for the production of rubber and polyolefin auxiliary antioxidant.
Last Update：2022-01-01 10:38:07
111-97-7 - Safety
Open Data Verified Data
- This product is toxic. Rat oral ld504210 mg/kg, cat oral LD50 4210mg/kg.
- This product is lined with glass bottles and wooden cases for external use. Store in a cool and ventilated warehouse, far away from fire, heat source, and oxidant, acid Isolation storage and transportation.
Last Update：2022-01-01 10:38:08
111-97-7 - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | thio-malononitrile, also known as thiodipropionitrile, is an organic intermediate that can be used to prepare thiodipropionic acid, can be used in laboratory research and development process and chemical and pharmaceutical synthesis process. |
| preparation | prepare 25% ~ 30% sodium sulfide solution, heat to 30~50 ℃, good acrylonitrile was weighed based on a molar ratio of acrylonitrile to sodium sulfide of 2:1.03 to 1.05, acrylonitrile was slowly dropped over 2H, and after the dropwise addition, stirred at 30 to 50 ° C. For 2H to obtain the compound thiodipropionitrile. |
| production method | prepared from acrylonitrile and sodium sulfide: |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 4210 mg/kg |
| stimulation data | Skin-rabbits 500 mg/24 h mild; eye-rabbit 500 mg/24 h mild |
| flammability hazard characteristics | open flame flammable; Highly toxic nitrile-containing gas emitted by heat |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Separate from food, oxidant and acid |
| fire extinguishing agent | water, foam, dry powder, carbon dioxide, sand |
Last Update：2024-04-09 21:01:54
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