Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
티오시안산
티오시안산 · HSCN · Thiocyanic acid · Sulfocyanic acid · hydrogen thiocyanate
식별자 및 물리적 특성
| CAS No. | 463-56-9 |
|---|---|
| 분자식 | HSCN |
| 평균 분자량 | 59.09 g/mol |
| 단동위원소 질량 | 58.98297003 g/mol |
| SMILES | N#CS |
| InChIKey | ZMZDMBWJUHKJPS-UHFFFAOYSA-N |
| PubChem CID | 781 |
| ChEMBL | CHEMBL84336 |
| ChEBI | CHEBI:29200 |
| EC No. | 207-337-4 |
| DTXSID | DTXSID7047221 |
| 현지명 | 티오시안산 |
화학 및 물리적 성질
| XLogP | 0.6 |
|---|---|
| 극성 표면적 | 24.8 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 3 |
| 형식 전하 | 0 |
| 복잡도 | 31.3 |
| 물질 분류 | Other Classes -> Organic AcidsIonic Liquids |
| SpringerMaterials Properties | Moessbauer quadrupole effect |
| LogP(분배 계수) | 0.58 (estimated) |
| 용해도 | Solubility in water: good |
| 녹는점 | 5 °C-110 °C |
| 증기 밀도 | Relative vapor density (air = 1): 2.0 |
| 증기압 | 4.73 [mmHg] |
| Physical Description | Colorless gas or white solid (depends on degree of polymerization)[Merck Index] Colorless liquidmp = 5 deg C[ICSC]COLOURLESS LIQUID. |
| Collision Cross Section | 99.8 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID4021343] |
| 끓는 점 | -87.78°C (estimate) |
| 밀도 | 1.228 (estimate) |
| 굴절률 | 1.4640 (estimate) |
| pKa(산도 계수) | 0.93±0.10(Predicted) |
| pH | pKa1= –0.87(25℃) |
| LogP(분배 계수) | 0.429 (est) |
| EPA | Thiocyanic acid (463-56-9) |
안전 및 규제
| GHS 분류 | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement) |
|---|---|
| 화재 위험 | Not combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| 유해성 요약 | A very strong acid[Merck Index] Polymerizes on warmingChronic exposure may cause hypothyroidism[ICSC] See Sodium thiocyanate. |
| EC 분류 | Symbol: XnR: 20/21/22-32-52/53S: (2)-13-61 |
| Chemical Dangers | The substance polymerizes due to warming. Decomposes on heating. This produces toxic fumes. Reacts violently with strong bases and strong oxidants. This produces toxic fumes including hydrogen cyanide. |
| Physical Dangers | The vapour is heavier than air. |
| Packaging and Labelling | Do not transport with food and feedstuffs. |
| Hazard Classes and Categories | Acute toxicity - category 4Acute Tox. 4 * |
| 소화 | In case of fire in the surroundings, use appropriate extinguishing media. |
| 응급 조치 | Fresh air, rest.Remove contaminated clothes. Rinse and then wash skin with water and soap.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention . |
| 안전 보관 | Separated from strong oxidants, strong bases and food and feedstuffs. Ventilation along the floor. |
| 누출 처리 | Personal protection: filter respirator for acid gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in covered containers as far as possible. Carefully collect remainder. Then store and dispose of according to local regulations. |
| Eye Prevention | Wear safety spectacles. |
| Fire Prevention | NO contact with acids, bases or oxidizing agents. |
| Inhalation Risk | No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C. |
| Skin Prevention | Protective gloves. |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| Inhalation Prevention | Use ventilation, local exhaust or breathing protection. |
| Effects of Long Term Exposure | The substance may have effects on the thyroid. This may result in hypothyroidism. |
| Treatment | In cases of thiocyanate exposure, get fresh air and medical attention. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. If swallowed, do not induce vomiting but give large quantities of water. Immediately flush skin with plenty of water for at least 15 minutes in case of exposure to skin or the eyes. (L217)Antidotes to cyanide poisoning include hydroxocobalamin and sodium nitrite, which release the cyanide from the cytochrome system, and rhodanase, which is an enzyme occurring naturally in mammals that combines serum cyanide with thiosulfate, producing comparatively harmless thiocyanate. Oxygen therapy can also be administered. (L97) |
| 건강 영향 | Thiocyanates are known to affect the thyroid glands, reducing the ability of the gland to produce hormones that are necessary for the normal function of the body. Exposure to high levels of cyanide for a short time harms the brain and heart and can even cause coma and death. (L191)Exposure to high levels of cyanide for a short time harms the brain and heart and can even cause coma, seizures, apnea, cardiac arrest and death. Chronic inhalation of cyanide causes breathing difficulties, chest pain, vomiting, blood changes, headaches, and enlargement of the thyroid gland. Skin contact with cyanide salts can irritate and produce sores. (L96, L97) |
| 유해 작용 | Neurotoxin - Other CNS neurotoxin |
| 노출 경로 | The substance can be absorbed into the body by inhalation of its vapour and by ingestion.Oral (L191)inhalation (L191)dermal (L191)Inhalation (L96)oral (L96)dermal (L96) |
| 독성 요약 | Thiocyanate (sulphocyanate or SCN) is believed to be a goitrogenic compound. It is a competitive inhibitor of the human thyroid sodium/iodide symporter NIS. Thus, the adverse effects of thiocyanate overload are especially noticeable when iodine availability is low. Intake of goitrogenic substances causes an adaptive increase in T3‰ЫЄs binding to brain nuclear receptors and in the activity of type II 5'-deiodinase, which generates T3 from T4. This altered function and availability of T3 is detrimental to the developing brain. Thiocyanate is also known to modulate activity of mammalian peroxidases. For instance, eosinophil peroxidase has been implicated in promoting oxidative tissue damage in a variety of inflammatory conditions, including asthma. Thiocyanate also acts as inhibitor to carbonic anhydrase, which catalyzes the rapid conversion of carbon dioxide to bicarbonate and protons. (A139, A143, A149) Organic nitriles decompose into cyanide ions both in vivo and in vitro. Consequently the primary mechanism of toxicity for organic nitriles is their production of toxic cyanide ions or hydrogen cyanide. Cyanide is an inhibitor of cytochrome c oxidase in the fourth complex of the electron transport chain (found in the membrane of the mitochondria of eukaryotic cells). It complexes with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents transport of electrons from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted and the cell can no longer aerobically produce ATP for energy. Tissues that mainly depend on aerobic respiration, such as the central nervous system and the heart, are particularly affected. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. Cyanide binds to the ferric ion of methemoglobin to form inactive cyanmethemoglobin. (L97)Organic nitriles decompose into cyanide ions both in vivo and in vitro. Consequently the primary mechanism of toxicity for organic nitriles is their production of toxic cyanide ions or hydrogen cyanide. Cyanide is an inhibitor of cytochrome c oxidase in the fourth complex of the electron transport chain (found in the membrane of the mitochondria of eukaryotic cells). It complexes with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents transport of electrons from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted and the cell can no longer aerobically produce ATP for energy. Tissues that mainly depend on aerobic respiration, such as the central nervous system and the heart, are particularly affected. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. Cyanide binds to the ferric ion of methemoglobin to form inactive cyanmethemoglobin. (L97) |
| Signs and Symptoms | Symptoms of thiocyanate exposure include rapid, deep breathing and shortness of breath, followed by convulsions (seizures) and loss of consciousness. (L191)Cyanide poisoning is identified by rapid, deep breathing and shortness of breath, general weakness, giddiness, headaches, vertigo, confusion, convulsions/seizures and eventually loss of consciousness. (L96, L97) |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Toxicity Data | Guanidine Thiocyanate: LD50: 375 mg/kg (Oral, Rat), LD50: 2000 mg/kg (Dermal, Rabbit) (L218) Potassium Thiocyanate: LD50: 854 mg/kg (Oral, Rat) (L219) Ammonium Thiocyanate: LD50: 750 mg/kg (Oral, Rat), LD50: 500 mg/kg (Oral, Mouse) (L220)LD50: 500 mg/kg (Oral, Mouse) (L558) LD50: 500 mg/kg (Intraperitoneal, Mouse) (L558) |
| RAIS Toxicity Values | 0.0002SCREEN Current0.0006PPRTV Current |
| EPA Provisional Peer-Reviewed Toxicity Values | Thiocyanic AcidPDF Document2012 |
| Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 | 1.60e+012.30e+024.00e+002.00e+002.00e-04Volatile |
| Hazard Quotient Level 3 or Cancer Risk Level 1E-04 | 4.70e+017.00e+021.20e+012.00e+002.00e-04Volatile |
| TSCA 등재 상태 | TSCA listed |
| 위험 문구(R) | 20/21/22-32-52/53 |
| 위험 표시 | Xn |
| 안전 문구(S) | 13-61 |
용도
용도
Thiocyanic acid can be used to prepare thiocyanates, esters, various thiocyanates, and cyanides. SCN ions are excellent ligands. A particularly sensitive reaction of SCN ions is the formation of various red complexes with Fe. Therefore, potassium thiocyanate or ammonium thiocyanate are commonly used as reagents for testing for Fe.