Formulae, Molecular Chemical Abstracts Service

Compounds are identified by an IUPAC approved name [93-ano-l], the empirical molecular formula, and the Chemical Abstracts Service Registry Number. A summary table is available for each compound which includes the reported temperature and density values, an assigned uncertainty for the density, the difference between the observed and smoothed density values and an index key to the source of the data. A complete list of references, identified by the index keys, appears at the end of the volume. 

For each selected PFC, a profile was edited including the name of the compound, its CAS (Chemical Abstracts Service) number and the SMILES (Simplified Molecular Input Line Entry System) formula. 

Correct chemical identity including molecular formula, Chemical Abstracts Service (CAS) Registry number, common synonyms, trade names, and a structural diagram. Gosselin et al. (1984) and Ash and Ash (1994, 1995) are excellent sources of information on existing commercial products, their components and uses ... 

Users can easily search the CD-ROM by employing the Aldrich catalog number, Chemical Abstracts Service (CAS) number, chemical name, or molecular formula. One can also export the chemical structures to some supported software for subsequent inclusion into word processing programs. The product is available from Aldrich Chemical Company, Inc., 940 West St. Paul Ave., Milwaukee, WI 54233. 

CAS CHEMICAL REGISTRY 8,000,000 compounds CHEMICAL ABSTRACTS SERVICE The world s largest file of substance information, including coordination compounds, polymers, incompletely defined substances, alloys, mixtures, and minerals. In each record, the registry number is linked to molecular structure diagram, molecular formula, CA index name, synonyms, and the ten most recent references in Chemical Abstracts. Easy crossover to the bibliographic file... 

The information on each chemical substance is concise and easy to understand. It includes the chemical name with CAS (Chemical Abstracts Service) number, the International Union of Pure and Applied Chemistry (lUPAC) name, molecular formula, synonyms and trade names, use and exposure, toxicity and health effects, whether it is carcinogenic, exposure limits, and methods of proper storage and disposal, with relevant references. Tables and appendices provide additional information. In certain chapters of this book, chemical substances are listed in alphabetical order to facilitate speedy and easy access for the reader the classifications of chemical substances are included separately. 

The PMN must be presented at least 90 days before the production of the new substance. New substances presented with a PNM are added to the list only after a 90-day review period and after the producer has submitted the so-called Notice of Commencement (NOC) within 30 days of the start of production. The notifier is asked for the following information Chemical Abstracts Service (CAS) number, chemical name, structural and molecular formulas, trade name, spectral analysis, type and percentage of impurities, and use. Initially, no experimental data are requested but if valid data are available, they must be included. Existing chemicals (those already listed) can be classified and consequently handled based on criteria given by the Occupational Safety and Health Agency (OSHA) and the National Institute for Occupational Safety and Health (NIOSH). 

Freeland, R.G., Funk, S.A., O Kom, L.J. and Wilson, G.A. (1979). The Chemical Abstract Service Chemical Registry System. II. Augmented Connectivity Molecular Formula. J.Chem.Inf. ComputSci., 19, 94-98. 

G. A. (1979) The chemical abstract service chemical registry system. 11. Augmented connectivity molecular formula. J. Chem. Inf. Comput. Sci., 19, 94-98. 

Chemical substances, their syntheses, the determination of their properties, and their applications are the core of chemistry and the main occupation of chemists. In their communications, chemists represent chemical substances by structural diagrams, names, molecular formulas, codes, and identification numbers. One of the most frequently used identification numbers is the Chemical Abstracts Service (CAS) Registry Number. Today, CAS Registry Numbers are often used to identify chemical substances in handbooks, indexes, databases, and inventories, and even on many commercial product labels. 

CAS ONLINE is Chemical Abstracts Service s computerized system that provides access to substance information from the CAS registry file. CAS ONLINE allows users to search for substances on the basis of structural units, registry number, chemical name, or molecular formula. Portions of the CAS information base are licensed by several information vendors. 

Substances are listed by systematic name molecular formula in the HUl format and Chemical Abstracts Service Registry Number are also given. The Notes column gives further information on the form of the substance and the basis on which the TLV is reported. This column also includes common synonyms and acronyms in brackets (e.g., [MTBE]). 

Figure 8.54 is the mass spectrum of an unknown liquid substance with an observed boihng point of 158 to 159°C. Table 8.7 reproduces the type of information that the computer would display as a hit hst. Notice that the information includes the name of each compound that the computer has used for matching, its molecular weight and molecular formula, and its Chemical Abstracts Service (CAS) Registry number. 

Specific molecular structures can be drawn for these two jasmolin substances which have specific molecular formulae and molecular weights, all of which should be provided for identifying the substance to be registered. There is no EC number for either component of the mixture, but there are Chemical Abstracts Services Registry Numbers (CASRN) 4466-14-2 for jasmolin I and 1172-63-0 for jasmolin II. The CAS Index names for the two are as above, and are different from the lUPAC names. 

Chemical Abstracts Services (CAS) Registry Number 75330-75-5 2.2 Structure. Formula, and Molecular Weight Structure ... 

The diversity of chemical structures in the polymer chains is characterized by the incorporation of eleven different chemical elements. Each polymer is identified by its chemical name. Chemical Abstracts Service Registry Number, synonym or commercial (trade) name, source, sample form (including the sample-preparation technique for IR measurements), representative molecular structure, general formula, comments, filenames of individual compounds spectra, and the entry numbers in our database. 

The empirical formula is the molecular formula of a chemical compound. The order of atoms follows tlie Hill system which is utilized by the Chemical Abstracts Services and by the Beilstein Institute. Within the empirical formula C is the first element symbol, H is the second, the other element symbols are added in alphabetical order. The empirical formula does not take into account of any crystal water content. Using this field for searches requires that the above guidelines are strictly followed. 

Methylene chloride (MC) means an organic compound with chemical formula, CH2 CI2. Its Chemical Abstracts Service Registry Number is 75-09-2. Its molecular weight is 84.9 g/mole. 

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