Ammonium thiocyanate - CAS 1762-95-4
Catalog: |
BB013209 |
Product Name: |
Ammonium thiocyanate |
CAS: |
1762-95-4 |
Synonyms: |
azanium;thiocyanate |
IUPAC Name: | azanium;thiocyanate |
Description: | Ammonium thiocyanate (CAS# 1762-95-4) is used in synthetic chemistry as a thiocyanation reagent. Ammonium thiocyanate is also a knwn plant poison and is used as a weed eradicant in the agricultural industry. |
Molecular Weight: | 76.12 |
Molecular Formula: | CH4N2S |
Canonical SMILES: | C(#N)[S-].[NH4+] |
InChI: | InChI=1S/CHNS.H3N/c2-1-3;/h3H;1H3 |
InChI Key: | SOIFLUNRINLCBN-UHFFFAOYSA-N |
Boiling Point: | 146 °C at 760 mmHg |
Melting Point: | 149 °C |
Purity: | > 98.5 % |
Density: | 1.3 g/cm3 |
Appearance: | Ammonium thiocyanate is a colorless crystalline solid. ammonium thiocyanate is soluble in water. the primary hazard is the threat posed to the environment. immediate steps should be taken to limit its spread to the environment. ammonium thiocyanate i |
Storage: | Store at RT. |
Decomposition: | When heated to decomposition it emits toxic fumes of /ammonia, Nitric oxides, Sulfur oxides, And hydrogen cyanide/ |
MDL: | MFCD00011428 |
LogP: | 0.72118 |
Vapor Pressure: | 0.00000715 [mmHg] |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P391, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22719519 | 20120601 | 2-Amino-cyclo-hexan-1-aminium thio-cyanate | Acta crystallographica. Section E, Structure reports online |
22555301 | 20120503 | Synthesis and bioactivity of pyrazole acyl thiourea derivatives | Molecules (Basel, Switzerland) |
22310846 | 20120501 | Phytotoxicity of thiocyanate to rice seedlings | Bulletin of environmental contamination and toxicology |
22199632 | 20111201 | Bis{μ(2)-2-[(2-hy-droxy-eth-yl)(meth-yl)amino]-ethano-lato}bis-(μ(3)-N-methyl-2,2'-aza-nediyldiethano-lato)tetra-kis-(thio-cyan-atato-κN)dichromium(III)dimanganese(II) dimethyl-formamide tetra-solvate | Acta crystallographica. Section E, Structure reports online |
21695452 | 20111101 | Multicomponent reactions of ammonium thiocyanate, acyl chlorides, alkyl bromides, and enaminones: a facile one-pot synthesis of thiophenes | Molecular diversity |
Complexity: | 31.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 76.00951931 |
Formal Charge: | 0 |
Heavy Atom Count: | 4 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 76.00951931 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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