Chemical Warfare Agents List

Chemical warfare agents Index No. CAS No. Molecular weight MW [g/mol] Log octanol - water Partition Coefficient LogKow Vapor pressure Pvap [torr] Solubility in water Sw [mg/mL] Number of carbon atoms nc Number of hydrogen atoms nh Number of nitrogen atoms nn Number of oxygen atoms no Number of rings nring
Nerve agents                      
Sarin 1 107-44-8 140.09 0.30 2.86E+00 46.38 4 10 0 2 0
Soman 2 96-64-0 182.17 1.78 4.10E-01 21.00 11 26 1 2 0
Tabun 3 77-81-6 162.13 0.38 7.00E-02 98.00 5 11 2 2 0
Cyclosarin,GF 4 329-99-7 180.16 1.67 4.40E-02 3.70 7 14 0 2 1
Diisopropyl fluorophosphate 5 55-91-4 184.15 1.17 5.79E-01 15.40 6 14 0 3 0
Methanesulfonyl fluoride 6 558-25-8 98.10 0.55 1.09E+01 30.00 1 3 0 2 0
Diisopropylaminoethyl methyl thiolophosphonate 7 73207-98-4 239.32 1.52 5.14E-06 331.32 9 22 1 2 0
O-Ethyl S-[2-(ethylsulfanyl)ethyl] methylphosphonothioate 8 556-75-2 228.30 1.48 1.06E-03 1.69 7 17 0 2 0
Amiton 9 78-53-5 269.34 1.70 2.67E-04 6.59 10 24 1 3 0
Tetrodotoxin 10 4368-28-9 319.27 -6.21 7.54E-16 1000.00 11 17 3 8 3
Dimethylcarbamoyl fluoride 11 431-14-1 91.08 -1.04 1.74E+01 947.50 3 6 1 1 0
Ethylsarin 12 1189-87-3 154.12 0.80 2.31E+00 1000.00 5 12 0 2 0
Edemo 13 21770-86-5 239.32 1.23 6.06E-04 24.65 9 22 1 2 0
Ethyl dimethylphosphoramidofluoridate 14 358-29-2 155.11 1.20 1.29E+00 71.72 4 11 1 2 0
Isopropyl dimethylphosphoramidocyanidate 15 63815-55-4 176.16 0.70 6.65E-03 14.43 6 13 2 2 0
Ammonium, (3-(N-methylcarbamoyloxy)phenyl)diethylmethyl-, iodide 16 60398-22-3 237.32 -1.55 1.48E-09 28.86 13 21 2 2 1
Carbamic acid, dimethyl-, ((4-trimethylammonio)-3-isopropyl)phenyl ester, iodide 17 63981-53-3 392.28 -0.67 9.84E-10 3.55 15 25 2 2 1
Vesicants                      
Sulfur Mustard, HD 18 505-60-2 159.08 2.14 1.10E-01 0.68 4 8 0 0 0
Lewisite 19 541-25-3 207.31 2.56 5.80E-01 0.50 2 2 0 0 0
HN-3 20 555-77-1 204.50 1.65 1.10E-02 0.16 6 12 1 0 0
HN-1 21 538-07-8 170.08 1.40 2.50E-01 0.16 6 13 1 0 0
HN-2 22 51-75-2 156.05 0.91 1.70E-01 12.00 5 11 1 0 0
Phosgene oxime 23 1794-86-1 113.93 0.73 9.05E-01 25.21 1 1 1 1 0
Ethyldichloroarsine 24 598-14-1 174.89 2.34 2.29E+00 0.59 2 5 0 0 0
Phenyldichloroarsine 25 696-28-6 222.93 3.06 1.13E-01 0.08 6 5 0 0 1
Sesquimustard 26 3563-36-8 219.20 2.99 2.68E-03 0.10 6 12 0 0 0
2-Chloroethyl ethyl sulfide 27 693-07-2 124.63 2.16 3.40E+00 1.39 4 9 0 0 0
Methyldichloroarsine 28 593-89-5 160.86 1.85 5.44E+01 1.80 1 3 0 0 0
1,3-Bis(2-chloroethylthio)-n-propane 29 63905-10-2 233.20 3.48 1.01E-03 0.03 7 14 0 0 0
2-Chloroethylchloromethylsulfide 30 542-81-4 110.60 1.66 8.98E+00 4.11 3 7 0 0 0
Bis(2-chloroethylthio) methane 31 63869-13-6 205.16 3.29 6.03E-03 0.06 5 10 0 0 0
Bis(2-chloroethylthiomethyl) ether 32 63918-90-1 235.20 1.73 8.22E-04 0.95 6 12 0 1 0
Bis(2-chloroethylthioethyl) ether (O Mustard; T) 33 63918-89-8 263.20 2.71 1.09E-04 0.10 8 16 0 1 0
Seleninyl chloride 34 7791-23-3 165.87 -0.15 9.65E-01 86.47 0 0 0 1 0
Carbamic acid, (2-chloroethyl)nitroso-, methyl ester 35 13589-15-6 166.57 1.47 4.68E-03 3.53 4 7 2 3 0
Blood agents                      
HCN 36 74-90-8 27.03 -0.25 7.42E+02 1000.00 1 1 1 0 0
Cyanogen chloride 37 506-77-4 61.47 -0.38 7.30E+01 360.61 1 0 1 0 0
Hydrogen sulfide 38 7783-06-4 34.08 -1.38 3.81E-09 1000.00 0 2 0 0 0
Arsine 39 7784-42-1 77.95 0.68 1.14E+04 34.71 0 3 0 0 0
Carbon Monoxide 40 630-08-0 28.01 0.40 8.73E+03 49.74 1 0 0 1 0
Cyanide 41 57-12-5 27.03 -0.25 7.42E+02 1000.00 1 1 1 0 0
Hydrogen cyanide  42 74-90-8 27.03 -0.25 7.42E+02 1000.00 1 1 1 0 0
Sodium monofluoroacetate 43 62-74-8 100.03 -3.78 1.66E-07 1110.00 2 2 0 2 0
Phosgene oxime 44 1794-86-1 113.93 0.73 9.05E-01 25.21 1 1 1 1 0
Stibine 45 7803-52-3 124.78 0.73 0.00E+00 22.97 0 3 0 0 0
Acetone cyanohydrin 46 75-86-5 85.11 -0.03 3.41E-01 1000.00 4 7 1 1 0
Glycolonitrile 47 107-16-4 57.05 -1.61 2.03E-01 1000.00 2 3 1 1 0
Lactonitrile 48 78-97-7 71.08 -0.94 1.19E-01 465.60 3 5 1 1 0
Cyanogen 49 460-19-5 52.04 0.07 4.30E+03 118.50 2 0 2 0 0
Cyanobromide 50 506-68-3 105.92 -0.29 1.21E+01 108.40 1 0 1 0 0
Cacodyl cyanide 51 683-45-4 131.01 0.85 2.45E+00 9.27 3 6 1 0 0
Phosphorous trifluoride 52 7783-55-3 87.97 1.28 1.64E-08 10.16 0 0 0 0 0
Methyl cyanoformate 53 17640-15-2 85.06 -1.10 4.27E+00 599.10 3 3 1 2 0
2,3,7,8-Tetrachlorodibenzodioxin 54 1746-01-6 321.98 6.80 1.50E-09 0.00 12 4 0 2 3
Lung injurants                      
Phosgene 55 75-44-5 98.92 -0.71 1.42E+03 475.10 1 0 0 1 0
Diphosgene 56 503-38-8 197.83 1.49 1.09E+01 2.39 2 0 0 2 0
Chlorine 57 7782-50-5 70.91 0.85 5.85E+03 6.30 0 0 0 0 0
Perfluoroisobutene 58 382-21-8 200.03 3.03 1.75E+03 0.11 4 0 0 0 0
Ammonia 59 7664-41-7 17.03 -1.38 1.66E-13 1000.00 0 3 1 0 0
Bromine 60 7726-95-6 159.81 1.03 2.12E+02 33.60 0 0 0 0 0
Chlorine 61 7782-50-5 70.91 0.85 5.85E+03 6.30 0 0 0 0 0
Hydrogen chloride 62 7647-01-0 36.46 0.25 4.16E-08 42.37 0 0 0 0 0
Methyl bromide 63 74-83-9 94.94 1.19 1.62E+03 15.20 1 3 0 0 0
Methyl isocyanate 64 624-83-9 57.05 0.79 3.48E+02 29.20 2 3 1 1 0
Osmium tetroxide 65 20816-12-0 254.23 2.23 1.01E-11 0.28 0 0 0 4 0
Phosgene 66 75-44-5 98.92 -0.71 1.42E+03 475.10 1 0 0 1 0
Diphosgene (DP) 67 503-38-8 197.83 1.49 1.09E+01 2.39 2 0 0 2 0
Phosphine 68 7803-51-2 34.00 -0.27 2.93E+04 0.00 0 3 0 0 0
Phosphorus, elemental, white or yellow 69 7723-14-0 30.97 -0.27 3.00E-02 0.00 0 3 0 0 0
Sulfuryl fluoride 70 2699-79-8 102.06 0.41 1.28E+04 0.75 0 0 0 2 0
Fluorine 71 7782-41-4 38.00 0.22 2.02E+08 0.00 0 0 0 0 0
Chloropicrin 72 76-06-2 164.38 2.09 2.38E+01 1.62 1 0 1 2 0
Disulfur decafluoride(Z) 73 5714-22-7 254.10 3.06 5.38E-09 0.05 0 0 0 0 0
Acrolein 74 107-02-8 56.06 -0.01 2.74E+02 212.00 3 4 0 1 0
Ethyl bromoacetate 75 105-36-2 167.00 1.12 1.68E+00 7.02 4 7 0 2 0
Perchloromethyl mercaptan 76 594-42-3 185.88 3.47 3.00E+00 0.06 1 0 0 0 0
Phenylcarbylamine chloride 77 622-44-6 174.03 2.54 1.78E-01 0.40 7 5 1 0 1
Tetranitromethane 78 509-14-8 196.03 -2.05 8.42E+00 0.90 1 0 4 8 0
Chlorotrifluoride 79 7790-91-2 92.45 0.53 9.53E-08 7.84 0 0 0 0 0
Perchloryl fluoride 80 7616-94-6 102.45 -3.22 4.51E-08 1000.00 0 0 0 3 0
Cadmium oxide 81 1306-19-0 128.41 -0.07 4.14E-09 107.30 0 0 0 1 0
Cadmium chloride 82 10108-64-2 183.32 -1.65 3.63E-10 1000.00 0 0 0 0 0
Mercuric Chloride 83 7487-94-7 271.50 -0.22 5.93E-12 69.00 0 0 0 0 0
Selenium dioxide 84 7446-08-4 110.96 -0.77 2.04E+00 491.80 0 0 0 2 0
Trifluoronitrosomethane 85 334-99-6 99.01 1.06 7.46E+03 14.58 1 0 1 1 0
Trichloronitrosomethane 86 3711-49-7 148.38 2.00 1.08E+02 1.51 1 0 1 1 0
Nitric oxide 87 10102-43-9 31.01 0.74 2.95E+05 26.90 0 1 1 1 0
Nitrogen dioxide 88 10102-44-0 46.01 -0.58 6.12E-10 170.90 0 0 1 2 0
Dinitrogen tetroxide 89 10544-72-6 92.01 0.43 1.00E-11 52.92 0 0 2 4 0
Sulfur dioxide 90 7446-09-5 64.06 -2.20 3.00E+03 107.00 0 0 0 2 0
Methyl Isocyanate 91 624-83-9 57.05 0.79 3.48E+02 29.20 2 3 1 1 0
Ketene 92 463-51-4 42.04 -0.52 1.04E+04 363.00 2 2 0 1 0
Methyl vinyl ketone 93 78-94-4 70.09 0.41 9.13E+01 60.63 4 6 0 1 0
Trifluoroacetyl chloride 94 354-32-5 132.47 -0.06 2.24E+02 100.40 2 0 0 1 0
Salcomin 95 14167-18-1 325.23 4.53 2.13E-10 0.00 16 14 2 2 2
Fluomine dust 96 62207-76-5 361.22 4.93 3.12E-10 0.00 16 12 2 2 2
Uranium hexafluoride 97 7783-81-5 113.99 0.21 8.65E-07 12.63 0 0 0 0 0
Riot-Control Agents                      
Chloropicrin 98 76-06-2 164.38 2.09 2.38E+01 1.62 1 0 1 2 0
Bromobenzyl cyanide 99 5798-79-8 196.05 1.83 6.53E-03 0.68 8 6 1 0 1
1-Chloroacetophenone 100 532-27-4 154.60 1.93 7.60E-03 1.64 8 7 0 1 1
2-chlorobenzilidene malononitrile 101 2698-41-1 188.62 2.76 3.40E-05 0.12 10 5 2 0 1
Xylyl bromide 102 104-81-4 185.06 3.43 9.92E-02 0.06 8 9 0 0 1
Bromoacetone 103 598-31-2 136.98 0.11 9.00E+01 69.63 3 5 0 1 0
Ethyl iodoacetate 104 623-48-3 214.00 1.62 6.38E-01 1.52 4 7 0 2 0
Benzyl chloride 105 100-44-7 126.59 2.30 1.23E+00 0.53 7 7 0 0 1
Benzyl bromide 106 100-39-0 171.04 2.92 4.50E-01 0.20 7 7 0 0 1
Capsaicin 107 404-86-4 305.42 4.00 1.32E-08 0.00 18 27 1 3 1
Chloromethyl chloroformate 108 22128-62-7 128.94 0.39 2.77E+01 43.12 2 2 0 2 0
Trichloromethyl chloroformate 109 503-38-8 197.83 1.49 1.09E+01 2.39 2 0 0 2 0
Dibenz[b,f][1,4]oxazepine(CR) 110 257-07-8 195.22 3.49 1.29E-04 0.00 13 9 1 1 3
Thiophosgene 111 463-71-8 114.98 -0.15 1.16E+02 140.70 1 0 0 0 0
Chloroacetone 112 78-95-5 92.53 0.02 1.20E+01 90.00 3 5 0 1 0
1-Bromo-2-butanone 113 816-40-0 151.00 0.60 3.63E+00 23.10 4 7 0 1 0
Acrolein 114 107-02-8 56.06 -0.01 2.74E+02 212.00 3 4 0 1 0
Phenacyl bromide 115 70-11-1 199.05 2.19 1.47E-02 0.60 8 7 0 1 1
Ethyl bromoacetate 116 105-36-2 167.00 1.12 1.68E+00 7.02 4 7 0 2 0
Ethyl iodoacetate 117 623-48-3 214.00 1.62 6.38E-01 1.52 4 7 0 2 0
Iodoacetone 118 3019-04-3 183.98 0.52 3.73E+00 18.81 3 5 0 1 0
Allyl isothiocyanate 119 57-06-7 99.15 2.15 3.70E+00 1.73 4 5 1 0 0
Hexamethylene diisocyanate 120 822-06-0 168.20 3.20 2.08E-02 0.12 8 12 2 2 0
Crotonaldehyde 121 4170-30-3 70.09 0.60 3.00E+01 181.00 4 6 0 1 0
Psychomimetic agents                      
3-quinuclidinyl benzilate  122 6581-06-2 337.40 3.01 2.38E-10 0.20 21 23 1 3 2
Phencyclidine 123 77-10-1 243.40 4.69 1.91E-04 0.03 17 25 1 0 3
Lysergic acid diethylamide 124 50-37-3 323.44 2.95 2.04E-08 0.00 20 25 3 1 4
Apomorphine 125 58-00-4 267.33 2.30 8.72E-10 0.62 17 17 1 2 4
Butyrophenone 126 495-40-9 148.21 2.77 8.45E-02 0.33 10 12 0 1 1
Etonitazene (EA-4941) 127 911-65-9 396.49 5.11 3.28E-12 0.00 22 28 4 3 3
Etorphine  128 14521-96-1 411.55 2.79 2.88E-12 0.11 25 33 1 4 4
Benactyzine (EA-2092) 129 302-40-9 327.43 2.89 2.15E-08 0.29 20 25 1 3 2
Ditran (CS-4297) 130 8015-54-1 317.43 3.02 5.26E-09 0.26 19 27 1 3 3
Dimethylheptylpyran (DMHP) 131 32904-22-6 370.58 9.54 3.02E-09 0.00 25 38 0 2 3
Phencyclidine 132 77-10-1 243.40 4.69 1.91E-04 0.03 17 25 1 0 3
Pethidine 133 57-42-1 247.34 2.72 8.43E-07 6.55 15 21 1 2 2
Psilocybin 134 520-52-5 284.25 1.00 1.90E-12 21.43 12 17 2 4 2
Carfentanil  135 59708-52-0 394.52 3.39 2.03E-10 0.00 24 30 2 3 3
N-Ethyl-3-piperidyl benzilate (JB-318) 136 3567-12-2 339.44 3.20 2.87E-10 0.14 21 25 1 3 3
N-Methyl-3-piperidyl benzilate (JB-336 or LBJ) 137 3321-80-0 325.41 2.71 7.80E-10 0.43 20 23 1 3 3
Benperidol 138 2062-84-2 381.45 3.91 1.28E-10 0.00 22 24 3 2 4
Desflurane  139 57041-67-5 168.04 1.20 6.64E+02 5.95 3 2 0 1 0
Enflurane  140 13838-16-9 184.49 2.10 2.27E+02 5.62 3 2 0 1 0
Isoflurane  141 26675-46-7 184.49 2.06 1.88E+02 4.47 3 2 0 1 0
Halothane 142 151-67-7 197.38 2.30 3.02E+02 4.07 2 1 0 0 0
Sevoflurane  143 28523-86-6 200.06 1.75 1.93E+02 1.41 4 3 0 1 0
Pentazocine 144 359-83-1 285.43 4.64 3.12E-07 0.06 19 27 1 1 1
Procarbazine  145 671-16-9 221.30 0.06 8.41E-07 1.48 12 19 3 1 1
Vomiting Agents                      
Trifluoronitrosomethane 146 334-99-6 99.01 1.06 7.46E+03 14.58 1 0 1 1 0
Adamsite 147 578-94-9 277.59 4.05 2.00E-13 0.00 12 9 1 0 3
Diphenylchloroarsine 148 712-48-1 264.59 4.52 1.80E-04 0.00 12 10 0 0 2
Diphenylcyanoarsine 149 23525-22-6 255.15 3.29 7.16E-06 0.02 13 10 1 0 2