化工社化工社 化学情報印刷レポート · 研究参考用
チオシアン酸
チオシアン酸 · ロダン酸 · スルホシアン酸 · チオシアン酸塩 · スルファニルホルモニトリル · HSCN · Thiocyanic acid · Sulfocyanic acid
識別子と物理属性
| CAS No. | 463-56-9 |
|---|---|
| 分子式 | HSCN |
| 平均分子量 | 59.09 g/mol |
| 単同位体質量 | 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 |
| 現地名 | チオシアン酸 |
化学・物理的性質
| XLogP | 0.6 |
|---|---|
| 極性表面積 | 24.8 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 0 |
| 重原子数 | 3 |
| 形式電荷 | 0 |
| 複雑度 | 31.3 |
| 物質分類 | Other Classes -> Organic AcidsIonic Liquids |
| SpringerMaterials Properties | Moessbauer quadrupole effect |
| LogP（分配係数） | 0.58 (estimated) |
| 溶解度 | Solubility in water: good |
| 融点 | 5 °C-110 °C |
| 蒸気密度 | Relative vapor density (air = 1): 2.0 |
| 蒸気圧 | 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] |
| 沸点 | -87.78°C (estimate) |
| 密度 | 1.228 (estimate) |
| 屈折率 | 1.4640 (estimate) |
| pKa（酸解離定数） | 0.93±0.10(Predicted) |
| pH | pKa1= –0.87(25℃) |
| LogP（分配係数） | 0.429 (est) |
| EPAの化学物質情報 | Thiocyanic acid (463-56-9) |
安全性と法規制
| GHS 分類 | 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) |
|---|---|
| 火災危険 | Not combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| 有害性の概要 | A very strong acid[Merck Index] Polymerizes on warmingChronic exposure may cause hypothyroidism[ICSC] See Sodium thiocyanate. |
| EC 分類 | 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 * |
| 消火 | In case of fire in the surroundings, use appropriate extinguishing media. |
| 応急処置措置 | 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 . |
| 安全保管 | Separated from strong oxidants, strong bases and food and feedstuffs. Ventilation along the floor. |
| 漏出処分 | 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. |
用途
使用
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.