기본 정보
- 표준 SMILES
N#C[S-].[Na+]- InChIKey
VGTPCRGMBIAPIM-UHFFFAOYSA-M- 분자식
- NaSCN
- 평균 분자량
- 81.07 g/mol
- 단동위원소 질량
- 80.96491428
개요
Sodium thiocyanate is an odorless white solid. Sinks and mixes with water. (USCG, 1999)
이름 및 식별자
- 우선 이름
- Sodium thiocyanate
- IUPAC
- sodium thiocyanate
- 현지명
- 싸이오사이안산 나트륨
- 영어명
- Sodium thiocyanate
- 분자식
- CNNaS
- 분자량
- 82.08
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- 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
물성
구조 계산 물성
- 극성 표면적
- 24.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 4
- 형식 전하
- 0
- 복잡도
- 34.5
실험 및 물리화학적 성질
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.
물리화학적 성질
- 녹는점
- 287 °C · 287 °C (dec.) (lit.)
- 끓는 점
- 400 ° · >400°
- 밀도
- 1.295 g/mL · 1.295 g/mL at 20 °C
- 증기압
- 1 hPa · <1 hPa (20 °C)
- 굴절률
- 1.545 · 1.545
- 저장 조건
- 5 °C · Store at +5°C to +30°C.
- 용해도
- 2 O: · H2O: 8 M at 20 °C, 투명, 무색
- 물리적 상태
- 고체
- 색상
- 하얀색
- 수소이온지수(pH)
- 6 · 6-8 (100g/l, H2O, 20℃)
- 냄새
- 냄새 없는
- 수용성
- 139 g/100mL · 139g/100mL(21℃)
- Merck
- 14 · 14,9327
- BRN
- 3594965 · 3594965
- 안정성
- 안정적인. 산, 강염기와 호환되지 않습니다. 빛에 노출되면 분해될 수 있습니다. 산과 접촉하면 독성이 강한 가스가 방출됩니다.
- 화장품 원료 기능
- 헤어 컨디셔닝
- 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
- EPA
- Sodium thiocyanate (540-72-7)
- Absorption
- 276 nm · cut-off at 276nm in H2O at 8M
화학적 성질
white crystalline powder
안전 및 규제
GHS 분류
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]
유해성 정보
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
안전 및 보호
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.
독성 정보
Signs and Symptoms
Cough. Further see Ingestion.
Nausea. Vomiting. Diarrhoea. Weakness. Confusion. Convulsions.
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- XL2275000
- 독성
- LD50 orally in rats: 764 mg/kg; i.v. in mice: 484 mg/kg (Anderson, Chen)
- HS 번호
- 28429011
- risk_code
- 32-52/53-20/21/22-36
- hazard_code
- Xn
- safety_code
- 36/37-61-13-46-26
- 기존화학 물질
- KE-31631
- F 고인화성물질
- 3
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
용도 및 제조
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
응용 분야
용도Sodium Thiocyanate is used widely in chemical synthesis as source of thiocyanate anion such as in the conversion of alkyl halides to alkylthiocyanates.
일반 설명Odorless white solid. Sinks and mixes with water.
제조 방법
Sodium thiocyanate is prepared by boiling an aqueous solution of sodium cyanide with sulfur: NaCN + S → NaSCN.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: An organic sodium salt which is the monosodium salt of thiocyanic acid.
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