109-78-4
3-Hydroxypropionitrile
CAS: 109-78-4
Molecular Formula: C3H5NO
109-78-4 - Names and Identifiers
| Name | 3-Hydroxypropionitrile |
| Synonyms | beta-HPN NSC 2598 ?Lactonitrile 2-cyanoethanol Hydracrylonitrile beta-cyanoethanol Glycol Canohydrin glycol cyanohydrin Ethylenecyanohydrin methanolacetonitrile Ethylene cyanohydrin 2-Cyanoethanol, Pract. 3-Hydroxypropionitrile 3-Hydroxypropanenitrile 3-hydroxypropiononitrile beta-hydroxypropionitrile Hydracrylonitrile, Pract. 3 - hydroxyl acrylic nitrile Ethylene Cyanohydrin, Pract. 3-hydroxypropanoic acid, nitrile 3-HYDROXYPROPIONITRILE FOR SYNTHESIS 2-Cyanoethanol~Ethylene cyanohydrin~Hydracrylonitrile 2-CyanoethanolHydracrylonitrile3-Hydroxypropionitrile 3-Hydroxypropionitrile, 2-Cyanoethan-1-ol, Ethylene cyanohydrin |
| CAS | 109-78-4 |
| EINECS | 203-704-8 |
| InChI | InChI=1/C3H5NO/c4-2-1-3-5/h5H,1,3H2 |
| InChIKey | WSGYTJNNHPZFKR-UHFFFAOYSA-N |
109-78-4 - Physico-chemical Properties
| Molecular Formula | C3H5NO |
| Molar Mass | 71.08 |
| Density | 1.04 g/mL at 25 °C (lit.) |
| Melting Point | -46 °C (lit.) |
| Boling Point | 228 °C (lit.) |
| Flash Point | >230°F |
| Water Solubility | >=10 g/100 mL at 20 ºC |
| Solubility | diethyl ether: slightly soluble2.3% (w/w) at 15°C(lit.) |
| Vapor Presure | <0.1 mm Hg ( 20 °C) |
| Vapor Density | 2.5 (vs air) |
| Appearance | Liquid |
| Specific Gravity | 1.047 (20/4℃) |
| Color | Clear slightly yellow to yellow |
| Exposure Limit | NIOSH: IDLH 25 mg/m3 |
| Merck | 14,3794 |
| BRN | 635773 |
| pKa | 13.82±0.10(Predicted) |
| PH | 3.0-4.5 (H2O, 20℃)(undiluted) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents. Reacts with water or steam to release toxic vapours. Reacts violently with acids, amines, inorganic bases. Corrodes mild steel. |
| Explosive Limit | 12.1% |
| Refractive Index | n20/D 1.425(lit.) |
| Physical and Chemical Properties | Density 1.04 melting point -46°C boiling point 228°C refractive index 1.4246-1.4266 flash point 128°C water-soluble> = 10g/100 mL at 20°C |
| Use | Used as pharmaceutical, organic synthesis intermediates |
109-78-4 - 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. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | 2810 |
| WGK Germany | 1 |
| RTECS | MU5250000 |
| FLUKA BRAND F CODES | 8-10 |
| TSCA | Yes |
| HS Code | 29269095 |
| Hazard Note | Irritant |
| Toxicity | LD50 orally in rats: 10.0 g/kg (Smyth, Carpenter) |
109-78-4 - Reference Information
| LogP | -0.94 at 20℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | used as an intermediate in medicine and organic synthesis used in the synthesis of medicine and pesticides, is an auxiliary raw material for papermaking, textile and leather industries, and is also used in the synthesis of epoxy resin curing agent. Used as an intermediate in medicine and organic synthesis as a solvent for cellulose esters and many inorganic salts. 3-aminopropanol can be obtained by hydrogenation, which is used for the synthesis of drugs such as cyclophosphamide and propranolol. It is used in the synthesis of medicine and pesticides. It is an auxiliary raw material for the papermaking, textile, and leather industries. It is also used in the synthesis of epoxy resin curing agents. |
| production method | obtained by hydration of acrylonitrile. Another preparation method is made by the reaction of 2-chloroethanol and sodium cyanide. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50:3200 mg/kg; Oral-rat LD50:1800 mg/kg |
| stimulation data | skin-rabbit 500 mg mild; Eye-rabbit 500 mg moderate |
| flammability hazard characteristics | open flame is combustible; heated or exposed to acid releases toxic cyanide and nitrogen oxide gas |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Store separately from oxidants, strong acids, strong alkalis and food additives |
| fire extinguishing agent | dry powder, dry stone powder, carbon dioxide, dry sand. Disable acid-base fire extinguishing agent. |
| occupational standard | STEL 100 mg/m3 |
| auto-ignition temperature | 922 °F |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:01:54
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