Formula compounding, system

Important as names are. they cannot serve all purposes, There are other, complementary means of identifying chemical compounds, e.g., structural formulas, notation systems, and registry numbers. None of these are nomenclature, however. 

Arsenic compounds became important much earlier than did phosphorus compounds. Since Ehrlich (1854-1915, Nobel laureate 1908 and creator of modern chemotherapy) together with Hata prepared salvarsan (1) (Ehrlich-Hata 606), the first trypanocidal compound against syphilis, an early boom in arsenic chemistry began. The formula (1) of salvarsan is in fact incorrect salvarsan is an oligmeric compound. Systems with true As=As double bonds were described only as late as 1983 <83TL3625>. 

Compound Formula Crystal system Density, g/cm Melting point, °C... 

Landolt-Bdrnstein Substance/Property Index http //lb.chanie.uni-hamburg.de/ The Landolt-Bornstein Substance/Property Index has both a keyword Search and browsable Indices (Molecular Formula, Elonent System, CAS-RN, Chonical Name, and Zeolite) for compounds with data in the New Series volumes. The Indices entries link to compound desaip-tions (including structure diagrams, chemical names/synonyms), European Regulations and Landolt-Bomstein Citations/References. A physical property listing of the indexed volumes is also provided. 

The elements of an organic compound are listed in empirical formulas according to the Hill system [8] and the stoichiometry is indicated by index numbers. Hill positioned the carbon and the hydrogen atoms in the first and the second places, with heteroatoms following them in alphabetical order, e.g., C9H11NO2. However, it was recognized that different compounds could have the same empirical formula (see Section 2.8.2, on isomerism). Therefore, fine subdivisions of the empirical... 

Besides structure and substructure searches, Gmclin provides a special search strategy for coordiuation compouuds which is found in no other database the ligand search system, This superior search method gives access to coordination compounds from a completely different point of view it is possible to retrieve all coordination compounds with the same ligand environment, independently of the central atom or the empirical formula of the compound. 

To seat ch for available starting materials, similarity searches, substructure searches, and some classical retrieval methods such as full structure searches, name searches, empirical formula searches, etc., have been integrated into the system. All searches can be applied to a number of catalogs of available fine chemicals (c.g, Fluka 154]. In addition, compound libraries such as in-housc catalogs can easily be integrated. 

This reference work differs from Beilstein in that it is baaed upon structural formulae and compounds are grouped according to the carbon skeleton rather than the functional group the latter system has the advantage that closely related compounds are grouped together. The volumes are not published in numerical order but rather on the basis of fields of current interest. They are a valuable supplement to Beilstein. The volumes which have been published to date (1955) are ... 

Acridine is a heterocyclic aromatic compound obtained from coal tar that is used in the syn thesis of dyes The molecular formula of acndine is C13H9N and its ring system is analogous to that of anthracene except that one CH group has been replaced by N The two most stable reso nance structures of acridine are equivalent to each other and both contain a pyndine like struc tural unit Wnte a structural formula for acridine... 

Compound CAS Registry Formula Appearance Crystal system Density, Mp,°C Bp, °C Solubihty... 

The oxidation-number system is easily extended to include other coordination compounds. Even the interesting substances represented by the formulas Na4Ni(CN)4 and K4Pd(CN)4 create no nomenclature problem they become sodium tetracyanonickelate(0) and potassium tetracyanopaHadate(0), respectively. 

Phosphoric acids and the phosphates maybe defined as derivatives of phosphoms oxides where the phosphoms atom is in the +5 oxidation state. These are compounds formed in the M2O—P20 system, where M represents one cation equivalent, eg, H", Na", 0.5 Ca ", etc. The molecular formula of the phosphoms(V) oxide [1314-56-3] is actually P O q, but this oxide is commonly referred to in terms of its empirical formula, P2O5. StmcturaHy, four phosphoms—oxygen (P—O) linkages are arranged in an approximate tetrahedral configuration about the phosphoms atom in the phosphate anion. Compounds containing discrete, monomeric PO ions are known as orthophosphates or simply as phosphates. 

Several compounds of the CaO—P2O3—H2O system are given in Table 8. The common names for the mono-, di-, and tricalcium phosphates arise from the traditional double-oxide formulas, CaO 2i5p T2O3, 2CaO H2O +205, and 3CaO +205, respectively. These terms are routinely used in industry. With the exception of the monocalcium salt, the calcium phosphates are all sparingly soluble. 

Ammonium bicarbonate, sp gr 1.586, formula wt 79.06, is the only compound in the NH —CO2—H2O system that dissolves in water without decomposition. SolubiUty in 100 g of H2O ranges from 11.9 g at 0°C to 59.2 g/100 g of H2O at 60°C (8). The heat of formation from gaseous ammonia and carbon dioxide andUquid water is 126.5 kj/mol (30.2 kcal/mol). Ammonium bicarbonate is manufactured by passing carbon dioxide gas... 

Reinforcing Resins. Reinforcement and stiffness of a compound can also be achieved with the use of reactive resins. Resins consisting of two-component systems of resorcinol or resorcinol condensation products and a methylene donor such as hexamethoxymethylmel amine (HMMM) or hexamethyltetramine (HMT) are the most popular in tires. These materials can be prereacted and added to the formula, or for more effective results they can react in situ ie, they can be added separately into the formula and react when the tire is vulcanized. 

BeryUide system Compound formula CAS Registry Number Melting point, °C X-ray density, g/mL Be, wt %... 

It resembles tetracyanoethylene in that it adds reagents such as hydrogen (31), sulfurous acid (31), and tetrahydrofuran (32) to the ends of the conjugated system of carbon atoms suffers displacement of one or two cyano groups by nucleophilic reagents such as amines (33) or sodiomalononittile (34) forms TT-complexes with aromatic compounds (35) and takes an electron from iodide ion, copper, or tertiary amines to form an anion radical (35,36). The anion radical has been isolated as salts of the formula (TCNQ) where is a metal or ammonium cation, and n = 1, 1.5, or 2. Some of these salts have... 

The eugenol portion of the formula may consist of eugenol alone or may be compounded into a viscous fluid by the addition of various additives. The addition of rosin polymerized rosin hydrogenated rosin plasticizing oils, eg, oHve oil accelerators or retarders medicinal additives and other modifiers serve to extend the useflilness of the basic system. 

Only three systems belong to this group pyrazole (3), l//-indazole (4) and 2//-indazole (isoindazole 5). The fused carbon atoms in indazoles are numbered 3a and 7a. When R = H, annular tautomerism (76AHC(Si)i) makes the 3- and 5-positions of pyrazoles equivalent and thus the name 3(5)-R-pyrazole means that the compound is a mixture of tautomers with the substituent R in position 3 and in position 5. The same applies to TV-unsubstituted indazoles however, the numbering is identical in both tautomers and thus 3-R-indazole means either (4) or (5) (R or R = H). Since the indazole tautomer is largely predominant (Section 4.04.1.5.1), indazoles are usually represented by the formula (4). 

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