Thiocyanic acid

Base Information

• Chemical Name: Thiocyanic acid
• CAS No.: 463-56-9
• Deprecated CAS: 134932-16-4,31782-33-9,42402-57-3,56925-41-8,60773-52-6,60930-21-4,80864-27-3,741609-06-3,2487183-59-3,31782-33-9,42402-57-3,56925-41-8,60773-52-6,60930-21-4,741609-06-3,80864-27-3
• Molecular Formula: CH N S
• Molecular Weight: 59.0916
• Hs Code.: 2930909090
• European Community (EC) Number: 207-337-4
• ICSC Number: 1671
• UNII: A5KWW7N91V
• DSSTox Substance ID: DTXSID7047221
• Nikkaji Number: J402B
• Wikipedia: Thiocyanic_acid
• Wikidata: Q25792,Q27110065
• Metabolomics Workbench ID: 51957
• ChEMBL ID: CHEMBL84336
• Mol file: 463-56-9.mol

Synonyms:ammonium rhodanate;ammonium thiocyanate;ammonium thiocyanate, (15)N-labeled cpd;thiocyanic acid;thiocyanic acid, ammonium salt;thiocyanic acid, barium salt;thiocyanic acid, magnesium salt

Chemical Property of Thiocyanic acid

Chemical Property:

• Vapor Pressure: 4.73mmHg at 25°C
• Melting Point: -110 °C
• Refractive Index: 1.4640 (estimate)
• Boiling Point: 146°Cat760mmHg
• PKA: 0.93±0.10(Predicted)
• Flash Point: 42.1°C
• PSA: 62.59000
• Density: 1.126g/cm³
• LogP: 0.39728
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 58.98297021
• Heavy Atom Count: 3
• Complexity: 31.3

Purity/Quality:

99%, ^*data from raw suppliers

THIOCYANIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-32-52/53
• Safety Statements: 13-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C(#N)S
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Long Term Exposure: The substance may have effects on the thyroid. This may result in hypothyroidism.

Technology Process of Thiocyanic acid

There total 187 articles about Thiocyanic acid 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:

bromocyane (506-68-3) + thiourea (17356-08-0) → thiocyanic acid (463-56-9) + CYANAMID (420-04-2) + hydrogen bromide (10035-10-6,12258-64-9)

Guidance literature:

Reference yield:

boron isothiocyanate (44904-18-9) + water (7732-18-5) → thiocyanic acid (463-56-9) + metaboric acid (13460-50-9)

Guidance literature:

DOI:10.1039/CT9089302177

Reference yield:

boron isothiocyanate (44904-18-9) → thiocyanic acid (463-56-9) + metaboric acid (13460-50-9)

Guidance literature:

DOI:10.1039/CT9089302177

upstream raw materials:

piperidine

N-allyl isothiocyanate

methanol

carbon disulfide

Downstream raw materials:

ethyl isothiocyanate

trans-1-hydroxy-2-thiocyanatocyclopentane

methyl thiocyanate

1-methylthio-4-nitro-benzene

Refernces

• 1、 Koch, Gregor,Ruck, Michael. "The layered coordination polymer Bi(SCN)3·H2O". . p. 1987 - 1990. Retrieved 2010.
• 2、 Dixon. "-". . p. 168. Retrieved 1902.
• 3、 Shaw,Walker. "-". . p. 2681. Retrieved 1957.
• 4、 -. "Compounds containing a N-heteroaryl moiety linked to fused ring moieties for the inhibition of NAD(P)H oxidases and platelet activation". Page/Page column 87. . Retrieved 2008/06/13.