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| CAS No.: | 540-72-7 |
|---|---|
| Name: | Sodium thiocyanate |
| Article Data: | 112 |
| Molecular Structure: | |
|
|
|
| Formula: | NaSCN |
| Molecular Weight: | 81.0735 |
| 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; |
| EINECS: | 208-754-4 |
| Density: | 1.295 g/mL at 20 °C |
| Melting Point: | 287 °C (dec.)(lit.) |
| Boiling Point: | 146 °C at 760 mmHg |
| Flash Point: | 42.1 °C |
| Solubility: | water: 139 g/100 mL (21 °C) |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 32-52/53-20/21/22 |
| Safety: | 36/37-61-13 |
| PSA: | 49.09000 |
| LogP: | 0.66498 |
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B
- 540-72-7
sodium thiocyanide
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| With sodium azide; ethanol |
| Conditions | Yield |
|---|---|
| With sodium hydrogensulfide at 200 - 500℃; | |
| With sodium hydrogensulfide at 200 - 500℃; |
| Conditions | Yield |
|---|---|
| With sulfur; acetone |
- 1147550-11-5
ammonium thiocyanate
- 540-72-7
sodium thiocyanide
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
- 17356-08-0
thiourea
- 540-72-7
sodium thiocyanide
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With sodium hydrogensulfide at 200 - 500℃; | |
| With sodium hydrogensulfide at 200 - 500℃; |
| Conditions | Yield |
|---|---|
| In acetonitrile at 24.9℃; Equilibrium constant; |
| Conditions | Yield |
|---|---|
| In acetonitrile at 24.85℃; Equilibrium constant; Thermodynamic data; ΔG, ΔH, ΔS; |
A
- 540-72-7
sodium thiocyanide
B
- 126763-09-5
1,8-bis<2-(diphenylphosphinoylmethyl)phenoxy>-3,6-dioxaoctane
| Conditions | Yield |
|---|---|
| In acetonitrile at 24.85℃; Equilibrium constant; Thermodynamic data; ΔG, ΔH, ΔS; |
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Chemistry
Molecular Structure:
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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
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
Production
Sodium thiocyanate (CAS NO.540-72-7) is one of the main sources of the thiocyanate anion
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. |
Safety Profile
Hazard Codes of Sodium thiocyanate (CAS NO.540-72-7): 
Xn
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