Thiocyanate

Base Information

• Chemical Name: Thiocyanate
• CAS No.: 302-04-5
• Deprecated CAS: 1111-68-8,37223-05-5,60168-45-8,60773-55-9,62476-95-3,69924-38-5,70874-95-2,81210-01-7
• Molecular Formula: CN S
• Molecular Weight: 58.0837
• European Community (EC) Number: 222-571-7,671-005-9
• UNII: O748SU14OM
• DSSTox Substance ID: DTXSID8047763
• Nikkaji Number: J215.799C,J330.947I
• Wikipedia: Thiocyanate,Thallium thiocyanate
• Wikidata: Q60839
• Mol file: 302-04-5.mol

Synonyms:thiocyanate;thiocyanate ion;thiocyanate ion (1-);thiocyanate ion (2-);Thiocyanogen ((SCN)2(1-))

Chemical Property of Thiocyanate

Chemical Property:

• Vapor Pressure: 4.73mmHg at 25°C
• Melting Point: 168-169 °C
• Boiling Point: 146°Cat760mmHg
• Flash Point: 42.1°C
• PSA: 23.79000
• Density: 1.126g/cm³
• LogP: 0.01438
• Storage Temp.: -20°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 57.97514518
• Heavy Atom Count: 3
• Complexity: 31.3

Purity/Quality:

97% ^*data from raw suppliers

SRI ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#N)[S-]
• Uses: Fumigants. Thiocyanate is one of the most important spectrophotometric reagents. The availability of the reagent and the simplicity of thiocyanate methods are responsible for its great popularity in analytical laboratories. Thiocyanate is principally used for determination of Fe(III), Mo, W, Nb, Re, Co, U, and Ti. The determination of metals by thiocyanate is carried out in aqueous or aqueous-acetone media, or after extraction with oxygen-containing solvents. The extractability of metal complexes depends on the acidity of the medium, the concentration of thiocyanate, and the organic solvent. The more acidic is the aqueous phase, and the higher the thiocyanate concentration, the more thiocyanic acid (HSCN) is also extracted by the organic phase. Stepwise formation of thiocyanate complexes gives cationic (e.g., FeSCN2+), neutral [e.g., Fe(SCN)3], and anionic [e.g., Fe(SCN)4-] species. The last is formed at high thiocyanate concentrations. With organic bases such as pyridine, tributylamine, and diantipyrylmethane, anionic thiocyanate complexes form ion-pairs which can be extracted into chloroform and other inert solvents. Increased selectivity in the determination of metals by thiocyanate is obtained by the choice of acidity, thiocyanate concentration, masking agent, and metal oxidation state. For example, the presence of a reducing agent is necessary for colour reactions with Mo, W, and Re. The reducing medium precludes the colour reaction of thiocyanate with iron. Thiocyanate methods vary widely in sensitivity. The methods for determining Te, Fe(III), and Nb are highly sensitive, whereas those for U and Co are less sensitive. The colour stability of some thiocyanate systems is low (e.g., that with iron). This is connected with either the reducing properties of the thiocyanate or the slow polymerization of thiocyanic acid in acid solutions, which causes yellowing. Solvents miscible with water increase the colour intensity of thiocyanate complexes in aqueous solutions. This is apparently owing to the lowered dielectric constants of the media, which inhibit dissociation of the complexes. Anionic thiocyanate complexes are extractable as ion-association species with basic dyes.

Technology Process of Thiocyanate

There total 120 articles about Thiocyanate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

cyanogen chloride (506-77-4) → Thiocyanate (302-04-5,1111-68-8,37223-05-5,62476-95-3,69924-38-5,81210-01-7,60168-45-8) + clorine (14700-96-0,14835-24-6,15723-23-6,16547-50-5,16885-04-4,16887-00-6,16904-11-3,16904-12-4,16999-02-3,20337-89-7,20499-73-4,22537-15-1,22537-27-5,22541-73-7,22541-74-8,24203-47-2,33944-49-9,34937-26-3,37352-90-2)

Guidance literature:

With carbon disulfide; In neat (no solvent); electronresonance; Kinetics;

DOI:10.1063/1.1674698

Reference yield:

carbon oxide sulfide (463-58-1) + cyanogen chloride (506-77-4) → Thiocyanate (302-04-5,1111-68-8,37223-05-5,62476-95-3,69924-38-5,81210-01-7,60168-45-8) + clorine (14700-96-0,14835-24-6,15723-23-6,16547-50-5,16885-04-4,16887-00-6,16904-11-3,16904-12-4,16999-02-3,20337-89-7,20499-73-4,22537-15-1,22537-27-5,22541-73-7,22541-74-8,24203-47-2,33944-49-9,34937-26-3,37352-90-2)

Guidance literature:

In neat (no solvent); electronresonance; Kinetics;

DOI:10.1063/1.1674698

Reference yield:

sodium cyanide (773837-37-9) + sodium sulfide (1313-82-2) + water (7732-18-5) → Thiocyanate (302-04-5,1111-68-8,37223-05-5,62476-95-3,69924-38-5,81210-01-7,60168-45-8) + hydrogen (1333-74-0)

Guidance literature:

cadmium(II) sulphide; In sodium hydroxide; byproducts: OH(1-); Irradiation (UV/VIS); under air or argon; a sample containing CdS, Na2S, and NaCN in 1 M NaOH soln. irradiated with 1000-W Hg/Xe lamp; not isolated; detected by gas chromatography and by UV;

upstream raw materials:

1-methylindole

(SCN)2 anion radical

methyl thioisocyanate

dithiooxamide

Downstream raw materials:

isopentylsulfanyl cyanate

thiocyanic acid ; iron (III)-compound

cyanogen chloride

thiocyanoacetone

Refernces

• 1、 Gretarsdottir, Johanna M.,Hambley, Trevor W.,Jonsdottir, Sigridur,Lewis, William,Suman, Sigridur G.. "Water-Soluble α-Amino Acid Complexes of Molybdenum as Potential Antidotes for Cyanide Poisoning: Synthesis and Catalytic Studies of Threonine, Methionine, Serine, and Leucine Complexes". . p. 18190 - 18204. Retrieved 2020/12/22.
• 2、 Chatelain, Lucile,Scopelliti, Rosario,Mazzanti, Marinella. "Synthesis and Structure of Nitride-Bridged Uranium(III) Complexes". supporting information. p. 1784 - 1787. Retrieved 2016/03/01.