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Sodium thiocyanate
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Name

Sodium thiocyanate

 EINECS 208-754-4
CAS No. 540-72-7 Density 1.295 g/mL at 20 °C
PSA 49.09000 LogP 0.66498
Solubility water: 139 g/100 mL (21 °C) Melting Point 287 °C (dec.)(lit.)
Formula NaSCN Boiling Point 146 °C at 760 mmHg
Molecular Weight 81.0735 Flash Point 42.1 °C
Transport Information N/A Appearance white crystalline powder
Safety 36/37-61-13 Risk Codes 32-52/53-20/21/22
Molecular Structure Molecular Structure of 540-72-7 (Sodium thiocyanate) Hazard Symbols HarmfulXn
Synonyms

Sodium Thiocyan;Sodium thiocyanide;Scyan;Natrium thiocyanat;Thiocyanate, sodium;Natriumrhodanid [German];Sodium thiocyanate solution (56% or less);Sodium rhodanate;Sodium sulfocyanate;Haimased;Thiocyanate sodium;Sodium thiocyanate solution;Sodium rhodanide;NaSCN;mono-dicalcium phosphate;

Article Data 112

Sodium thiocyanate Synthetic route

[Na(tetrahydrofuran)2][(CS2)NV(N(3,5-Me2C6H3)(t-Bu))3] complex

A

SV(N(3,5-Me2C6H3)(tBu))3 complex

B

540-72-7

sodium thiocyanide

Conditions
ConditionsYield
In tetrahydrofuran Kinetics; storage at 23°C for 24 h (or at 25°C for kinetic); solvent removed in vac.; residue dissolved in Et2O; filtered through fine sintered-glass frit; dried; NMR;A 94%
B 96%
75-15-0

carbon disulfide

540-72-7

sodium thiocyanide

Conditions
ConditionsYield
With sodium azide; ethanol
420-04-2

CYANAMID

540-72-7

sodium thiocyanide

Conditions
ConditionsYield
With sodium hydrogensulfide at 200 - 500℃;
With sodium hydrogensulfide at 200 - 500℃;
143-33-9

sodium cyanide

540-72-7

sodium thiocyanide

Conditions
ConditionsYield
With sulfur; acetone
1147550-11-5

ammonium thiocyanate

540-72-7

sodium thiocyanide

Conditions
ConditionsYield
With sodium hydroxide
17356-08-0

thiourea

540-72-7

sodium thiocyanide

Conditions
ConditionsYield
With sodium hydrogensulfide at 200 - 500℃;
With sodium hydrogensulfide at 200 - 500℃;
127099-85-8, 780722-26-1

N-Cyanoguanidine

540-72-7

sodium thiocyanide

Conditions
ConditionsYield
With sodium hydrogensulfide at 200 - 500℃;
With sodium hydrogensulfide at 200 - 500℃;

C12H16O4*CNS(1-)*Na(1+)

A

14174-08-4

benzo-12-crown-4

B

540-72-7

sodium thiocyanide

Conditions
ConditionsYield
In acetonitrile at 24.9℃; Equilibrium constant;

C43H43NO4P2*CNS(1-)*Na(1+)

A

540-72-7

sodium thiocyanide

B

209346-62-3

methylamine

Conditions
ConditionsYield
In acetonitrile at 24.85℃; Equilibrium constant; Thermodynamic data; ΔG, ΔH, ΔS;

C44H44O6P2*CNS(1-)*Na(1+)

A

540-72-7

sodium thiocyanide

B

126763-09-5

1,8-bis<2-(diphenylphosphinoylmethyl)phenoxy>-3,6-dioxaoctane

Conditions
ConditionsYield
In acetonitrile at 24.85℃; Equilibrium constant; Thermodynamic data; ΔG, ΔH, ΔS;

Sodium thiocyanate Chemical Properties

Molecular Structure:

Molecular Formula: CNNaS
Molecular Weight: 81.0722
IUPAC Name: Sodium thiocyanate
Synonyms of Sodium thiocyanate (CAS NO.540-72-7): CCRIS 3967 ; Caswell No. 796A ; EINECS 208-754-4 ; EPA Pesticide Chemical Code 068202 ; Haimased ; Natrium rhodanatum ; Natrium thiocyanat ; Natriumrhodanid ; Natriumrhodanid [German] ; Scyan ; Sodium isothiocyanate ; Sodium rhodanate ; Sodium rhodanide ; Sodium sulfocyanate ; Sodium sulfocyanide ; Sodium thiocyanide ; Thiocyanate sodium ; USAF EK-T-434 ; Thiocyanic acid, sodium salt (1:1) ; Sodium thiocyanate solution (56% or less)
CAS NO: 540-72-7
Classification Code:  Agricultural Chemical ; Drug / Therapeutic Agent ; Herbicide
Melting point: 287 °C
Flash Point: 42.1 °C
Enthalpy of Vaporization: 38.3 kJ/mol
Boiling Point: 146 °C at 760 mmHg
Vapour Pressure: 4.73 mmHg at 25°C

Sodium thiocyanate Uses

 Sodium thiocyanate (CAS NO.540-72-7) is used as a precursor for the synthesis of pharmaceuticals and other specialty chemicals. Thiocyanate salts are typically prepared by the reaction of cyanide with elemental sulfur:
NaCN + 1/8 S8 → NaSCN
NaSCN crystallises in an orthorhombic cell. Each Na+ center is surrounded by three sulfur and three nitrogen ligands provided by the triatomic thiocyanate anion. It is commonly used in the laboratory as a test for the presence of Fe3+ ions.NaSCN is employed to convert alkyl halides into the corresponding alkylthiocyanates. Closely related reagents include ammonium thiocyanate and potassium thiocyanate, which has twice the solubility in water. Silver thiocyanate may be used as well; the precipitation of insoluble silver halides help simplify workup. Treatment of isopropyl bromide with NaSCN in hot ethanolic solution affords isopropyl thiocyanate. Protonation of NaSCN affords isothiocyanic acid, S=C=NH (pKa = -1.28).
This species is generated in situ from NaSCN; it adds to organic amines to afford derivatives of thiourea

Sodium thiocyanate Production

  Sodium thiocyanate (CAS NO.540-72-7) is one of the main sources of the thiocyanate anion

Sodium thiocyanate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 100mg/kg (100mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 169, Pg. 429, 1933.
guinea pig LDLo intraperitoneal 500mg/kg (500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: EXCITEMENT		 Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 169, Pg. 429, 1933.
guinea pig LDLo oral 600mg/kg (600mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 152, 1940.
guinea pig LDLo subcutaneous 500mg/kg (500mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 152, 1940.
mouse LD50 intraperitoneal 500mg/kg (500mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION		 Japanese Journal of Pharmacology. Vol. 3, Pg. 99, 1954.
mouse LD50 intravenous 484mg/kg (484mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 152, 1940.
mouse LD50 oral 362mg/kg (362mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 106, 1982.
mouse LDLo subcutaneous 400mg/kg (400mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 152, 1940.
rabbit LDLo intravenous 100mg/kg (100mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 169, Pg. 429, 1933.
rabbit LDLo oral 750mg/kg (750mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 169, Pg. 429, 1933.
rabbit LDLo subcutaneous 200mg/kg (200mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: FOOD INTAKE (ANIMAL)		 Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 152, Pg. 250, 1930.
rat LD50 intraperitoneal 540mg/kg (540mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT		 Journal of Pharmacology and Experimental Therapeutics. Vol. 96, Pg. 416, 1949.
rat LD50 intratracheal 232mg/kg (232mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 106, 1982.
rat LD50 oral 764mg/kg (764mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 29, Pg. 152, 1940.

Sodium thiocyanate Safety Profile

Hazard Codes of Sodium thiocyanate (CAS NO.540-72-7): HarmfulXn
Risk Statements: 32-52/53-20/21/22 
R32: Contact with acid liberates very toxic gas. 
R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36/37-61-13 
S36/37: Wear suitable protective clothing and gloves. 
S61: Avoid release to the environment. Refer to special instructions / safety data sheets. 
S13: Keep away from food, drink and animal foodstuffs.
WGK Germany :1
RTECS: XL2275000
F: 3

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