Basic information
- Standard SMILES
N#C[S-].[Na+]- InChIKey
VGTPCRGMBIAPIM-UHFFFAOYSA-M- Molecular formula
- NaSCN
- Average molar mass
- 81.07 g/mol
- Monoisotopic mass
- 80.96491428
Overview
Sodium thiocyanate is an odorless white solid. Sinks and mixes with water. (USCG, 1999)
Names & identifiers
- Preferred name
- Sodium thiocyanate
- IUPAC
- sodium thiocyanate
- English name
- Sodium thiocyanate
- Molecular formula
- CNNaS
- Molecular weight
- 82.08
Names & synonyms
SODIUM THIOCYANATE540-72-7Sodium rhodanateSodium rhodanideThiocyanate sodiumSodium sulfocyanateThiocyanic acid, sodium saltScyanNaSCNHaimasedNatrium rhodanatumNatrium thiocyanat
Show more names
SODIUM THIOCYsodium cyanosulfanideSodium isothiocyanate (texniy technical gradeCNNaSusafek-t-434
Sodium thiocyanideSodium sulfocyanideNatriumrhodanidDTXSID40213435W0K9HKA05DTXCID101343CHEBI:30952RefChem:184128
Database identifiers
- 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
Properties
Computed structural properties
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 34.5
Experimental & physicochemical properties
Chemical ClassesMetals -> Metals, Inorganic Compounds
CosmeticsHair conditioning
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
Density
greater than 1 at 68 °F (USCG, 1999)
1.7 g/cm³
SolubilitySolubility in water, g/100ml at 21 °C: 139
Decomposition368 °C
Melting Point
572 °F (USCG, 1999)
~300 °C
287 °C
Vapor Pressure0.00000004 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
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.
Physicochemical properties
- Melting point
- 287 °C · 287 °C (dec.) (lit.)
- Boiling point
- 400 ° · >400°
- bulk density
- 800 · 800-1000kg/m3
- Density
- 1.295 g/mL · 1.295 g/mL at 20 °C
- vapor pressure
- 1 hPa · <1 hPa (20 °C)
- refractive index
- 1.545 · 1.545
- storage temp.
- 5 °C · Store at +5°C to +30°C.
- solubility
- 2 O: · H2O: 8 M at 20 °C, clear, colorless
- form
- Solid
- color
- White
- PH
- 6 · 6-8 (100g/l, H2O, 20℃)
- Odor
- Odorless
- Water Solubility
- 139 g/100 · 139 g/100 mL (21 ºC)
- Sensitive
- Hygroscopic
- Merck
- 14 · 14,9327
- BRN
- 3594965 · 3594965
- Exposure limits
- 25 mg/m3 · NIOSH: IDLH 25 mg/m3
- Stability
- Stable. Incompatible with acids, strong bases. May decompose on exposure to light. Contact with acid liberates highly toxic gas.
- Cosmetics Ingredients Functions
- HAIR CONDITIONING
- 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 DataBase Reference
- 540 · 540-72-7(CAS DataBase Reference)
- Indirect Additives used in Food Contact Substances
- SODIUM THIOCYANATE
- FDA 21 CFR
- 175.105 · 175.105
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 W0K9HKA05 · 5W0K9HKA05
- EPA Substance Registry System
- Sodium thiocyanate (540-72-7)
- Absorption
- 276 nm · cut-off at 276nm in H2O at 8M
- UNSPSC Code
- 12352302 · 12352302
- NACRES
- 26 · NA.26
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H318-H412
- Precautionary statements
- 261 · P261-P280-P301+P312+P330-P305+P351+P338+P310
- Hazard Codes
- Xn
- Risk Statements
- 32 · 32-52/53-20/21/22-36
- Safety Statements
- 36 · 36/37-61-13-46-26
- WGK Germany
- 1 · 1
- RTECS
- 2275000 · XL2275000
- F
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 28429011 · 28429011
- Storage Class
- 13 · 13 - Non Combustible Solids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1
- Toxicity
- 50 orally · LD50 orally in rats: 764 mg/kg; i.v. in mice: 484 mg/kg (Anderson, Chen)
- REACH Registrations
- Active
Safety & regulation
GHS classification
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]
Hazard information
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
Other Safety InformationIMAP assessments - Thiocyanate salts: Human health tier II assessment
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
EC ClassificationSymbol: Xn; R: 20/21/22-32-52/53; S: (2)-13-61; Note: A
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.
Chemical DangersDecomposes on heating. This produces toxic fumes including sulfur oxides, nitrogen oxides, sodium oxide and cyanides. Reacts violently with acids, strong bases and strong oxidants.
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
Safety & protection
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.
Safe StorageSeparated from acids, bases, oxidants and food and feedstuffs. Dry. Well closed.
Spillage DisposalSweep spilled substance into covered containers. Carefully collect remainder. Personal protection: particulate filter respirator adapted to the airborne concentration of the substance.
Eye PreventionWear safety goggles or eye protection in combination with breathing protection.
Inhalation RiskA harmful concentration of airborne particles can be reached quickly when dispersed.
Skin PreventionProtective gloves.
Exposure PreventionPREVENT DISPERSION OF DUST!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse local exhaust or breathing protection.
Effects of Long Term ExposureThe substance may have effects on the central nervous system and thyroid. This may result in impaired functions and hypothyroidism.
Toxicology
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Signs and Symptoms
Cough. Further see Ingestion.
Nausea. Vomiting. Diarrhoea. Weakness. Confusion. Convulsions.
Safety data
- F
- 3
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- XL2275000
- hs_code
- 28429011
- Toxicity
- LD50 orally in rats: 764 mg/kg; i.v. in mice: 484 mg/kg (Anderson, Chen)
- risk_code
- 32-52/53-20/21/22-36
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 36/37-61-13-46-26
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302+H312+H332-H318-H412
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1
- Precautionary statements
- P261-P280-P301+P312+P330-P305+P351+P338+P310
Chemistry & industry
Uses & manufacturing
UsesUsed to make other thiocyanates; [Merck Index] Used as preservative for foods; [WHO JECFA]
U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesBinder
Industry UsesNot Known or Reasonably Ascertainable
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
Applications
UsesSodium thiocyanate is a valuable chemical raw material and has important uses in various sectors of the national economy. Sodium thiocyanate is mainly used as a solvent for spinning acrylic fibers, chemical analysis reagents, color film film rinses, certain plant defoliants, and airport road herbicides. Sodium thiocyanate is also used in pharmaceuticals, printing and dyeing, rubber processing, black nickel plating, and artificial mustard. Oil, etc. The main industrial production processes are: separation of sodium thiocyanate from waste liquid in coke oven gas, synthesis of sodium thiocyanate with sodium cyanide and sulfur, and production of sodium thiocyanate by metathesis reaction of ammonium thiocyanate and sodium hydroxide. The synthesis of sodium thiocyanate requires high purity HCN as raw material, which is costly and harsh.
Usesmanufacture of other thiocyanates, especially organic.
UsesSodium Thiocyanate is used widely in chemical synthesis as source of thiocyanate anion such as in the conversion of alkyl halides to alkylthiocyanates.
General DescriptionOdorless white solid. Sinks and mixes with water.
Preparation methods
PreparationSodium thiocyanate is prepared by boiling an aqueous solution of sodium cyanide with sulfur: NaCN + S → NaSCN.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
济南永昌富祥化工有限公司18253123678 · [email protected]
武汉问津化学科技有限公司13517196568 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
山东多聚化学有限公司0531-88779566 13105315100
上海景颜化工科技有限公司13817811078 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
天津金汇太亚化学试剂有限公司022-59582624 18622766592 · [email protected]
江苏汇鸿国际集团医药保健品进出口有限公司025-84691373 15312418043
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
北京环宇世纪化学科技有限公司hysj_bj.com
上海将来实业股份有限公司021-61552785 · [email protected]
成都迈斯克医药科技有限公司028-84552636 18084815636 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
湖北瑞今化学有限公司027 83642615 13995607107 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
成都润泽本土化工有限公司13096311329 028-88469284 616445927 · [email protected]
北京华扬致成科技有限公司13716033033 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
上海康拓化工有限公司021-69185552 13701777608 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
桦特昇生物科技（武汉）有限公司027-59207879 1972026995 18140587686 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
郑州科豫隆化工产品有限公司17319789407 17319789407 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Additional notes
DefinitionChEBI: An organic sodium salt which is the monosodium salt of thiocyanic acid.
Related reactions
173 records
Linked notes
Loading…