On August 23, China’s National Environmental Protection Chemicals Registration Center released the trial “Technical Requirements for New Chemical Substance Registration Indication Information” to further standardize the new chemical substance identification information submitted by China’s new chemical substance notifiers and improve substance declaration and identification information. quality.
According to the "Environmental Management Measures for New Chemical Substances" (China Reach), new chemical substances in China can be divided into inorganic substances, organic substances, organometallic or metal-organic compounds, polymers, mixtures, reaction products, and biologically derived substances according to their chemical structures and sources. Nine categories include chemical substances (including enzymes, extracts, etc.) or materials, dyes and pigments, and others.
The identification information for declaration and registration includes the Chinese name, English name, chemical abstract number, molecular formula and structural formula of the substance. When the applicant requests to keep the above information confidential, the Chinese and English class names of the substance should also be given. The specific requirements for reporting identification information are as follows:
1. Chemical Abstracts Number (CAS Number))
(1) Substances with CAS number
Substances with CAS numbers should submit accurate and valid CAS numbers. The structural information of the declared substance should be completely consistent with the structural information of the substance corresponding to the CAS number. It should not be part of the substance corresponding to the CAS number, and the substance corresponding to the CAS number is not allowed to be part of the declared substance. The relevant identification information corresponding to the CAS number shall be subject to authoritative databases (such as SciFinder database, CA CD version database, paper version CA and other CAS products or authoritative related databases). When it is known that the CAS number of the declared substance has been replaced, deleted, etc., it should be provided.
(2) Substances without CAS number
Substances that are verified not to have a CAS number do not need to provide a CAS number. For substances that are applying for a CAS number, the reporting unit should promptly submit the CAS number information of the substance to the registration center after the CAS number application is completed, including the CAS number, CA Index Name, all other names (Other Name), molecular formula and Structural formula.
2. Name
The names of declared substances include Chinese/English chemical names, Chinese/English class names and other names. The Chinese and English names of chemical names and class names should correspond to each other.
(1)Chinese name
1. A substance with a unique and definite molecular structure
Substances with unique and definite molecular structures should be classified in accordance with the "Nomenclature Principles of Inorganic Chemistry" (1980 edition), "Nomenclature Principles of Organic Chemistry" (1980 edition) of the Chinese Chemical Society, and the "Nomenclature Principles of Polymer Chemistry" (2005) of the National Committee for the Approval of Scientific and Technical Terms. version), Chinese national standard "General Principles of Nomenclature of Chemicals" (GBT23955), or refer to the current IUPAC naming specification file to name various chemical substances.
2. There is no substance with a unique and definite molecular structure
Substances without a unique and definite molecular structure are divided into the following two situations:
(1) Substances with CAS numbers: Chinese names can be named with reference to the CA index names, but must comply with the basic requirements of Chinese naming standards.
(2) Substances without CAS number
Polymer: refer to the "Nomenclature Principles of Polymer Chemistry". If the repeating structural unit is known, the structure-based nomenclature is used; if the repeating structural unit is unknown, the source-based nomenclature is used. The expression form of the source basic naming is generally: the polymer of monomer 1 and monomer 2, monomer 3, ... and the last monomer).
If necessary, modifications describing structure, morphology or process, such as random, alternating, block, graft, etc., need to be inserted before "polymer". If the polymer has an end-capping group that does not come from the polymer monomer, the expression "α-end-capping group 1-ω-end-capping group 2" needs to be inserted before "polymer".
Polymers that are polymerized in multiple steps should be named hierarchically, and different levels should be separated by brackets.
Mixture: Named in accordance with the "National Standard of the People's Republic of China - General Rules for Nomenclature of Chemicals" (GB/T 23955).
Reaction product: named according to the source, expressed in the form: reaction product of reactant 1 and reactant 2, reactant 3, ... and the last reactant).
The reaction products of multi-step reactions should be described in hierarchical names, and different levels should be separated by brackets.
Chemical substances or materials derived from biological sources: named in accordance with the "National Standard of the People's Republic of China - General Rules for Nomenclature of Chemicals" (GB/T 23955).
Dyes and pigments: use CI (Pigment Index) names (except dyes and pigments with clear structures).
3. Some notes on Chinese naming
(1) The name agreed upon in the discipline can be used as the name of the substance;
(2) Spaces are not allowed in Chinese names; the use of the hyphen "-" must comply with the basic principles of naming chemical substances and cannot be added or deleted at will;
(3) All digits, English letters, brackets, hyphens, apostrophes and other symbols in the name should be in half-width format;
(4) Some special characters should be in italics, such as "α", "ω", etc. in the aforementioned polymers;
(5) For complex descriptive names, brackets should be used to indicate different levels to facilitate identification and reading.
(2) English name
It should be named according to the current IUPAC naming convention, or use the CA index name. Other English names, common names, customary names and names within the industry can be retained as "other names".
(3) Class name
If the labeling information is required to be kept confidential during routine registration of new chemical substances, Chinese class names and English class names should be given. Such names can be used in approval announcements, announcements, and registration certificates for new chemical substances, as well as for inclusion in the "Existing Chemical Substances in China" Used in the Directory. Chinese class names should be prepared with reference to the "Guidelines for Preparation of Class Names for Notification of New Chemical Substances" (HJ/T 420-2008), and English class names should be compiled based on the translation of the Chinese class names.
3. Molecular formula
Each element in the molecule, its arrangement order and subscripts should be correctly stated.
(1) Inorganic matter
It is expressed according to the basic specifications of the structural composition of elements, compounds (acids, alkaloids, salts, etc.), complexes, etc.
(2) Organic matter
Expressed in terms of combining similar elements in the molecule, not in terms of functional groups. Express the order of elements according to C, H and other elements (in alphabetical order).
(3) Organometallic compounds and organic salts
Refer to the molecular formula expression of inorganic substances. For those whose structure or local structure is uncertain, use the method of "organic molecular formula·x metal element symbol", where "organic molecular formula" is the complete molecular formula; "•" is the middle dot (cannot be a decimal point); "x" is the composition Coefficient, which can be an integer or a fraction.
(4) Polymer
Expressed in terms of repeating units, structural units or monomers, the form is as follows:
1. Repeating unit method: (repeating unit molecular formula)x, where "x" is a subscript, and the brackets must use half-shaped brackets;
2. Structural unit mode: (structural unit molecular formula) x, in which the component units in the structural unit are connected with dots "•";
3. Monomer mode: (complete molecular formula of each monomer)x, where the molecular formulas of each monomer are connected with a dot "•".
If the polymer has an end-capping group that does not originate from the polymer monomer, the molecular formula of the end-capping group should be added before and after the polymer formula.
(5) Mixture: expressed in terms of components, and the complete molecular formulas of each component are connected by "+".
(6) Reaction products: expressed in terms of reactants, with “•” connecting the complete molecular formulas of each reactant.
(7) Chemical substances or materials derived from biological sources
Generally, it is a substance that does not have a unique molecular structure. It has complex composition and complex structure, and the molecular formula does not need to be provided. If there are certain known components, the molecular formula of the known component should be given. The molecular formulas of each known component should be connected with "+", followed by "+W99" to describe the remaining unknown components.
(8) Dyes and pigments: Generally, they are substances that do not have a unique molecular structure. The structure is relatively complex, and the molecular formula does not need to be provided. However, for substances whose molecular structure is known, the molecular formula should be given according to the above provisions.
4. Structural formula
(1) Substances with unique and definite molecular structures
For substances with a unique and definite molecular structure, ChemDraw software should be used to draw an accurate and complete structural formula (the same below). Then copy the structural formula in the ChemDraw interface and paste it directly into the corresponding column of the application form Word document. Do not save it as an image file and then insert it into the Word file.
(2) Substances whose main structure is uniquely determined but whose local structure is uncertain
The structural formula of the main structure that has been clearly defined should be drawn. The local structure with uncertain bonding position or the variable part of the local structure should be expressed in the form of an indefinite position structure or annotations or text descriptions. For example, when the position of the substituent on the benzene ring is uncertain, it can be expressed by drawing a bond perpendicular to one side of the benzene ring from the center of the benzene ring; when the local structure does not have a definite molecular structure, it can be replaced by Chinese characters or names. When there are many different structural forms, the material structural formula of the main components should be given, and the typical structural form should be noted as a reference structural formula.
For polymers with clear repeating units or structural units, the structural formula should be drawn, brackets should be added on the left and right sides of the structural formula, and an "x" should be added outside the right bracket. If there are end-capping groups not derived from polymer monomers, the structural formulas of the end-capping groups should be drawn on both sides of the brackets and connected through the brackets with bonding lines.
(3) Substances with uncertain structure
Polymers (except those with clear repeating units or structural units), reaction products, mixtures and other material systems that do not have a unique and definite structure should be drawn in sequence according to the order in which each monomer, reactant, and component appears in the name of the substance. Structural formulas of each monomer, reactant, and component. When a certain monomer, reactant, or component does not have a determined structural formula, its Chinese or English name can be used instead. For polymers, each monomer is connected with "•", and brackets are added on the left and right sides of the structural formula, and "x" is added outside the right bracket; for reaction products, each reactant is connected with "•"; for mixtures, Each component is connected with "+". Material systems with multi-step reactions should be enclosed in brackets hierarchically.
(4) Other requirements for structural formulas
1. Newman projections are not accepted as structural formulas.
2. For substances containing cis-trans isomers of double bonds, chiral molecular centers, etc., their structural formulas should include corresponding three-dimensional structure information, and the identification letters should be in italics. Wedge lines, dotted lines, solid lines, etc. should be used correctly when representing three-dimensional structures.
3. Chemical substances or materials derived from organisms are natural organic substances or materials with complex structures, and known and definite structural formula fragments should be given as much as possible. If there are known components, give the structural formula according to the requirements of the mixture, and indicate the unknown components and their approximate proportions; if there are no known components but it is known to contain some typical structural functional groups, the typical functional group structure should be given. Indicated are typical structural fragments.
4. For dyes and pigments with a definite structure, the structural formula should be given; if there is no definite structural formula, CI marking information must be provided.
Source: China REACH Resolution Center (2011-08-26)
