Working together for a world free of chemical weapons www.opcw.org
Working together for a world free of chemical weapons At At SA SAB-22 22, The Direct ctor-Genera General request quested ed the Scie ientific tific Ad Adviso visory Board Board (SA SAB) B) to to: make technical recommendations on isotopic labelling of chemicals relevant • to Schedule 1, 2 and 3 under the Chemical Weapons Convention – in light of the SAB’s previous advice on CAS registry numbers (RC-2/DG.1, dated 28 February 2008, in paragraph 3.5 of the Annex); • assess whether the chemical properties of a chemical are altered, when subject to isotopic labelling, in a manner that would affect its relevance to the schedules of chemicals under the Chemical Weapons Convention; and • make technical recommendations on how stereoisomers of chemicals relevant to Schedule 1, 2 and 3 under the Chemical Weapons Convention should be considered in relation to the Convention, taking into account the SAB’s previous advice on CAS registry numbers (RC-2/DG.1, dated 28 February 2008, in paragraph 3.5 of the Annex). www.opcw.org
Working together for a world free of chemical weapons At At SA SAB-22 22, The Direct ctor-Genera General request quested ed the Scie ientific tific Ad Adviso visory Board Board (SA SAB) B) to to: make technical recommendations on isotopic labelling of chemicals relevant • to Schedule 1, 2 and 3 under the Chemical Weapons Convention – in light of the SAB’s previous advice on CAS registry numbers (RC-2/DG.1, dated 28 February 2008, in paragraph 3.5 of the Annex); • assess whether the chemical properties of a chemical are altered, when subject to isotopic labelling, in a manner that would affect its relevance to the schedules of chemicals under the Chemical Weapons Convention; and • make technical recommendations on how stereoisomers of chemicals relevant to Schedule 1, 2 and 3 under the Chemical Weapons Convention should be considered in relation to the Convention, taking into account the SAB’s previous advice on CAS registry numbers (RC-2/DG.1, dated 28 February 2008, in paragraph 3.5 of the Annex). www.opcw.org
Working together for a world free of chemical weapons www.opcw.org
Working together for a world free of chemical weapons Part 1: Chemic emical al Abstrac racts ts Servic vice e (CA CAS) S) Re Regis gistr try y Number er? Is a uniqu que numeric ric identi ntifier er Desig ignat nates es on only on one subs bstance nce Con ontai ains ns no c o che hemic ical al infor formatio ation, n, yet et is a l link to o a wealth th of of i infor formati mation on abo bout a speci cific ic ch chemical cal subs bstance nce www.opcw.org
Working together for a world free of chemical weapons Part 1: Chemic emical al Abstrac racts ts Servic vice e (CA CAS) S) Re Regis gistr try y Number er? Is a uniqu que numeric ric identi ntifier er Desig ignat nates es on only on one subs bstance nce Con ontai ains ns no c o che hemic ical al infor formatio ation, n, yet et is a l link to o a wealth th of of i infor formati mation on abo bout a speci cific ic ch chemical cal subs bstance nce www.opcw.org
Working together for a world free of chemical weapons How M How Many y CA CAS Registr try Nu Numbe bers s Ha Have ve Been Assigne igned? d? 1993 Grows by CWC Opened ~15,000/day For Signature > 155,000,000 CAS Numbers Assigned since 1993 (Schedules created) www.opcw.org
Working together for a world free of chemical weapons www.opcw.org
Working together for a world free of chemical weapons 1A(1), ), 1A(2), ), 1A(3) 2B(4) 4) Only y 17 chemi micals cals in > 1.3 Million on Limited ed only ly by Schedu dule le 3 Poss ssibil ilities ities! imaginat ination! ion! Or are there? e? www.opcw.org
Working together for a world free of chemical weapons 1A(1), ), 1A(2), ), 1A(3) 2B(4) 4) Only y 17 chemi micals cals in > 1.3 Million on Limited ed only ly by Schedu dule le 3 Poss ssibil ilities ities! imaginat ination! ion! Or are there? e? www.opcw.org
Working together for a world free of chemical weapons How w Many y Scheduled led Chemica icals ls Have e CA CAS Re Regis gistr try y Numbers? s? 1993 Grows by CWC Opened ~15,000/day For Signature ~30 30,000 ,000 www.opcw.org
Working together for a world free of chemical weapons How w Many y Scheduled led Chemica icals ls Have e CA CAS Re Regis gistr try y Numbers? s? 55 in Annex x 1993 on Chemical emicals Grows by CWC Opened (3 are not ot ~15,000/day For Signature Schedu dule led) d) ~30 30,000 ,000 www.opcw.org
Working together for a world free of chemical weapons Par art 2: : Is Isotopes opes www.opcw.org
Working together for a world free of chemical weapons But First Atoms… www.opcw.org
Working together for a world free of chemical weapons But First Atoms… www.opcw.org
Working together for a world free of chemical weapons But First Atoms… www.opcw.org
Working together for a world free of chemical weapons And Elements… = Atomic Number = Number of Protons Protons = Electrons (neutral atom) www.opcw.org
Working together for a world free of chemical weapons And Elements… = Atomic Number = Number of Protons Protons = Electrons (neutral atom) “D” “T” “H” www.opcw.org
Working together for a world free of chemical weapons St Stable able an and Unstable stable Is Isot otop opes ns rotons ber of Pro Numbe Numbe ber of Neutr trons ons www.opcw.org
Working together for a world free of chemical weapons St Stable able an and Unstable stable Is Isot otop opes ns rotons ber of Pro Numbe Numbe ber of Neutr trons ons www.opcw.org
Working together for a world free of chemical weapons And Back to Atoms… and Molecules Chemi mical bo bonding ing is al all ab about ut electro trons! s! (isot otop opes s do not ot differ by electr tron ons s : c chemis istr try y of isot otope opes of the same me eleme ment is fo for practic ical purp rposes the same me) = = = H-C-H (a “C” with 4 “bonds”, H’s are not shown) www.opcw.org
Working together for a world free of chemical weapons What at Abou out t Schedul heduled ed Chem hemic icals? als? Is Is it it sti till ll Schedule hedule 1? 1? No Assigned CAS Registry Number www.opcw.org
Working together for a world free of chemical weapons Nat atural ural Abundan undance ce of of St Stable able Is Isot otop opes No isot otop opes es indicated ed for prac actical ical purposes, , we we assume ume a sam ample le indica cated by this is struct cture contains ins all isotopes pes of each ch eleme ement nt in their eir nat atur ural l abundan bundance ce www.opcw.org
Working together for a world free of chemical weapons What at Schedule hedule Is Is It It? = C-H CH 3 = “Me” = If CD 3 is considered “not Me”, this is unscheduled Schedule 1A(1) or 2B(4) D 7 i-Pr www.opcw.org
Working together for a world free of chemical weapons Par art 3: : St Stereoi ereoisomer somers www.opcw.org
Working together for a world free of chemical weapons Three ree Dim imens nsio ional nal Mol olecul ecular ar St Structure ructure Enantiom iomer ers: “Mirror image” chemical structures Atom with 4 different substituents = “Chiral Center” Chemical properties are the same for each enantiomer Enantiomers are designated “R” and “S” www.opcw.org
Working together for a world free of chemical weapons CAS CAS Regist gistry Number mbers s an and St Stereoisomer ereoisomers ( R )-3-Qu Quinucl uclidinyl yl benzilat ate ( S )-3-Qu Quinuc uclidi dinyl yl benzi zilat ate CA CAS Number mber 62869-69 69-6 CA CAS Number mber 62869-68 68-5 www.opcw.org
Working together for a world free of chemical weapons What at if if Th There ere is is Mor ore e than an One e Chiral iral Cent enter? er? Enantiom antiomer ers C( S )P( C( )P( S ) C( C( R )P )P( R ) 38 m g/kg LD LD 50 50 38 50 > 5000 m g/kg LD 50 LD Not ot Enantiome antiomers Not ot Enantiome antiomers Diastereome ereomers Differ eren ent t Proper perti ties! es! C( C( S )P( )P( R ) C( R )P C( )P( S ) 50 > 2000 m g/kg 99 m g/kg LD LD 50 LD 50 LD 50 99 Enantiom antiomer ers www.opcw.org
Working together for a world free of chemical weapons St Stereoc ereochemistr hemistry y an and Li Life Processes rocesses Soman ( ) adduct www.opcw.org
St Stereoc ereochemistr hemistry y an and Li Life Processes rocesses Working together for a world free of chemical weapons C( C( R )P )P( R ) C( C( R )P )P( S ) 50 > 5000 m g/kg LD LD 50 99 m g/kg LD 50 LD 50 99 C( C( S )P( )P( R ) C( C( S )P( )P( S ) 50 > 2000 m g/kg 38 m g/kg LD 50 LD LD LD 50 50 38 www.opcw.org
Working together for a world free of chemical weapons Le Less ss Toxic ic For orms ms of of Som oman an? C( C( R )P )P( R ) C( C( R )P )P( S ) LD 50 LD 50 99 mg/k /kg LD 50 LD 50 > 5000 mg/k /kg H 2 O C( S )P( C( )P( R ) C( S )P( C( )P( S ) Enantiom antiomer ers LD LD 50 50 > > 2000 2000 mg/k /kg LD LD 50 50 38 mg/k /kg H 2 O www.opcw.org
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