基本情報
- 標準SMILES
N#C[S-].[Na+]- InChIKey
VGTPCRGMBIAPIM-UHFFFAOYSA-M- 分子式
- NaSCN
- 平均分子量
- 81.07 g/mol
- 単同位体質量
- 80.96491428
概要
Sodium thiocyanate is an odorless white solid. Sinks and mixes with water. (USCG, 1999)
名称と識別子
- 優先名称
- Sodium thiocyanate
- IUPAC
- sodium thiocyanate
- 現地名
- ナトリウムチオシアナート
- 英語名
- Sodium thiocyanate
- 分子式
- CNNaS
- 分子量
- 82.08
名称と別名
名称をさらに表示
データベース識別子
- CAS
540-72-7- PubChem CID
- 516871
- DTXSID
DTXSID4021343- ChEMBL
CHEMBL1644028- ChEBI
CHEBI:30952- UNII
- 5W0K9HKA05
- EC Number
- 208-754-4、630-465-0
- Nikkaji
- J44.071J
物性
構造計算による物性
- 極性表面積
- 24.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 4
- 形式電荷
- 0
- 複雑度
- 34.5
実験および物理化学的性質
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
Density
greater than 1 at 68 °F (USCG, 1999)
1.7 g/cm³
Melting Point
572 °F (USCG, 1999)
~300 °C
287 °C
Physical Description
Sodium thiocyanate is an odorless white solid. Sinks and mixes with water. (USCG, 1999)
Sodium thiocyanate solution (56% or less) is an odorless clear to pale yellow liquid. (USCG, 1999)
CBI; Large Crystals; Dry Powder
Colorless or white deliquescent solid; [Merck Index] Colorless odorless solid; [Aldrich MSDS]
COLOURLESS HYGROSCOPIC CRYSTALS OR WHITE POWDER.
物理化学的性質
- 融点
- 287 °C · 287 °C (dec.) (lit.)
- 沸点
- 400 ° · >400°
- 比重(密度)
- 1.295 g/mL · 1.295 g/mL at 20 °C
- 蒸気圧
- 1 hPa · <1 hPa (20 °C)
- 屈折率
- 1.545 · 1.545
- 貯蔵温度
- 5 °C · Store at +5°C to +30°C.
- 溶解性
- 2 O: · H2O: 8M at20℃、透明、無色
- 外見
- 個体
- 色
- 白い
- PH
- 6 · 6-8 (100g/l, H2O, 20℃)
- 臭い (Odor)
- 無臭
- 水溶解度
- 139 g/100mL · 139g/100mL(21℃)
- Merck
- 14 · 14,9327
- BRN
- 3594965 · 3594965
- 安定性
- 安定。酸および強塩基とは相容れない。光に暴露すると分解することがある。酸と接触すると、非常に有毒なガスが放出されます。
- 化粧品成分の機能
- ヘアコンディショニング
- InChI
- 1S/CHNS.Na/c2-1-3;/h3H;/q;+1/p-1
- InChIKey
- VGTPCRGMBIAPIM-UHFFFAOYSA-M
- SMILES
- [Na]SC#N
- LogP
- 0.58 · 0.58
- CAS データベース
- 540 · 540-72-7(CAS DataBase Reference)
- EPAの化学物質情報
- Sodium thiocyanate (540-72-7)
- Absorption
- 276 nm · cut-off at 276nm in H2O at 8M
化学的性質
化学的特性white crystalline powder
安全と法規制
GHS分類
GHS Classification
Danger
H302+H312+H332 (38.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P321, P330, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 799 reports by companies from 25 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
危険有害性情報
Regulatory Information
Chemical: Thiocyanic acid, sodium salt
Thiocyanic acid, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Thiocyanic acid, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
2002/2076
Status: Active Update: 15-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/14109
Sodium thiocyanate: Does not have an individual approval but may be used under an appropriate group standard
Fire Hazards
Special Hazards of Combustion Products: Irritating oxides of sulfur and nitrogen may form in fire. (USCG, 1999)
Special Hazards of Combustion Products: Irritating oxides of sulfur and nitrogen may form in fire. (USCG, 1999)
Not combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Health Hazards
Inhalation of dust causes irritation of nose and throat. Ingestion of large doses causes vomiting, extreme cerebral excitement, convulsions, and death in 10-48 hrs.; chronic poisoning can cause flu-like symptoms, skin rashes, weakness, fatigue, vertigo, nausea, vomiting, diarrhea, confusion. Contact with eyes causes irritation. Prolonged contact with skin may produce various skin eruptions, dizziness, cramps, nausea, and mild to severe disturbance of the nervous system. (USCG, 1999)
Intensity of effects will vary with concentration of the solution. Inhalation of vapor causes irritation of nose and throat. Ingestion of large doses causes vomiting, extreme cerebral excitement, convulsions, and death in 10-48 hrs.; chronic poisoning can cause flu-like symptoms, skin rashes, weakness, fatigue, vertigo, nausea, vomiting, diarrhea, confusion. Contact with eyes causes irritation. Prolonged contact with skin may produce various skin eruptions, dizziness, cramps, nausea, and mild to severe disturbance of the nervous system. (USCG, 1999)
Hazards Summary
May cause convulsions; Prolonged or repeated exposure may cause CNS effects and hypothyroidism; [ICSC] Not irritating to skin or eye of rabbits; Causes sensitization in human and guinea pig studies; [IUCLID] Search for (540-72-7[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results; [PubMed] Dust is irritating to eyes, nose, and throat; Inhalation may cause systemic poisoning; Prolonged skin exposure may cause rash, dizziness, cramps, and slight to severe nervous system disturbances; [CHRIS] Oral LD50's (rat) range from 232 to 1,180 mg/kg; Causes convulsions in lethal-dose studies of rats, mice, and guinea pigs; [RTECS] May cause irritation; Targets CNS, cardiovascular system, and thyroid; Toxic by inhalation; Harmful by ingestion and skin absorption; [Aldrich MSDS] Cyanide is detoxified in the body when it is combined with sulfur to form thiocyanate. [Ford, p. 705] Thiocyanate can competitively inhibit the entry of iodide into the thyroid gland and cause hypothyroidism and goiters. [Goldfrank, p. 1680] See CYANIDES.
Reactive Group
Salts, Basic
Salts, Basic
Reactivity Profile
Nitric acid violently oxidized a thiocyanate solution [Bretherick 1979 p. 121]. Caution should be exercised in treating a thiocyanate with an oxidizing agent such as a peroxide or chlorate as such mixtures have been known to explode. Special Hazards of Combustion Products: Irritating oxides of sulfur and nitrogen may form in fire (USCG, 1999). Carbonyl sulfide is produced in a violent reaction by the mixture of sulfuric acid and sodium thiocyanate.
Nitric acid violently oxidized a thiocyanate solution [Bretherick 1979 p. 121]. Caution should be exercised in treating a thiocyanate with an oxidizing agent such as a peroxide or chlorate as such mixtures have been known to explode. Special Hazards of Combustion Products: Irritating oxides of sulfur and nitrogen may form in fire (USCG, 1999). Carbonyl sulfide is produced in a violent reaction by the mixture of sulfuric acid and sodium thiocyanate.
Air and Water Reactions
Water soluble.
No rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute toxicity (Oral) - Category 4
安全と保護具
Fire Fighting
Fire Extinguishing Agents: Use extinguishing agents appropriate for the surrounding fire. (USCG, 1999)
In case of fire in the surroundings, use appropriate extinguishing media.
First Aid Measures
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 a slurry of activated charcoal in water to drink. Refer for medical attention .
First Aid
INHALATION: move to fresh air; if exposure has been great, get medical attention.
Call for medical aid.
毒性情報
Signs and Symptoms
Cough. Further see Ingestion.
Nausea. Vomiting. Diarrhoea. Weakness. Confusion. Convulsions.
安全データ
- F
- 3
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- XL2275000
- 毒性
- LD50 orally in rats: 764 mg/kg; i.v. in mice: 484 mg/kg (Anderson, Chen)
- hs_code
- 28429011
- risk_code
- 32-52/53-20/21/22-36
- 化審法
- 一般化学物質
- hazard_code
- Xn
- safety_code
- 36/37-61-13-46-26
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1
- ストレージクラス
- 13 - Non Combustible Solids
化学と産業
用途と製造
Use Classification
Food Additives -> PRESERVATIVE -> JECFA Functional Classes
Food Additives -> PRESERVATIVE -> JECFA Functional Classes
Food Additives -> PRESERVATIVE -> JECFA Functional Classes
Cosmetics -> Hair conditioning
General Manufacturing Information
CBI
Thiocyanic acid, sodium salt (1:1): ACTIVE
応用分野
用途アクリル繊維の溶剤、染料
用途有機チオシアン酸塩の製造、分析試薬、線維の染色、黒色ニッケルメッキ、ポリアクリル酸類の溶剤、除草剤
使用Sodium Thiocyanate is used widely in chemical synthesis as source of thiocyanate anion such as in the conversion of alkyl halides to alkylthiocyanates.
一般的な説明Odorless white solid. Sinks and mixes with water.
調製方法
製造方法Sodium thiocyanate is prepared by boiling an aqueous solution of sodium cyanide with sulfur: NaCN + S → NaSCN.
純化方法It is recrystallised from EtOH or Me2CO, and the mother liquor is removed from the crystals by centrifugation. It is very deliquescent and should be kept in an oven at 130o before use. It can be dried in a vacuum at 120o/P2O5 [Partington & Winterton Trans Faraday Soc 30 1104 1934]. Its solubility in H2O is 113% at 10o, 178% at 46o, 225.6% at 101.4o; in MeOH 35% at 15.8o, 51% at 48o, 53.5% at 52.3o; in EtOH 18.4% at 18.8o, 24.4% at 70.9o; and in Me2CO 6.85% at 18.8o and 21.4% at 56o [Hughes & Mead J Chem Soc 2282 1929]. Sodium thiocyanate has also been recrystallised from water, acetonitrile or from MeOH using Et2O for washing, then dried at 130o, or dried under vacuum at 60o for 2days. [Strasser et al. J Am Chem Soc 107 789 1985, Szezygiel et al. J Am Chem Soc 91 1252 1987.] (The latter purification removes material reacting with iodine.) Sodium thiocyanate solutions can be freed from traces of iron by repeated batch extractions with Et2O.
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
補足説明
定義本品は、次の化学式で表される無機塩である。
定義ChEBI: An organic sodium salt which is the monosodium salt of thiocyanic acid.
関連反応
関連ノート
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