107-44-8

• 常用中文名：sarin
• 常用英文名：sarin
• CAS号：107-44-8
• 分子式：C₄H₁₀FO₂P
• 分子量：140.09300
• 发布时间：2016-03-02 00:23:02
• 更新时间：2024-01-03 12:37:39

名称

• 英文名: sarin
• 英文别名: SARIN-I; SARINTYPEI; Sarin.; AGENTGB; methylphosphonofluoridic acid 1-methyl-ethyl ester; IMPF; SARINTYPEII; ISOPROPOXYMETHYLPHOSPHORYLFLUORIDE; isopropyl methylphosphonofluoridate; SARIN-II; O-isopropyl methylphosphonofluoridate

物化性质

• 密度: 1.07g/cm3
• 沸点: 147ºC at 760mmHg
• 熔点: -56ºC
• 分子式: C₄H₁₀FO₂P
• 分子量: 140.09300
• 闪点: 42.7ºC
• 精确质量: 140.04000
• PSA: 36.11000
• LogP: 2.20380
• 外观性状: 液体
• 折射率: 1.361
• 储存条件:

  库房低温, 通风, 干燥; 与食品原料分开存放

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.8

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积26.3

  7.重原子数量:8

  8.表面电荷:0

  9.复杂度:113

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:1

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

毒理学数据: 大鼠-口服 LD50: 0.55 毫克/公斤; 小鼠 -静脉 LD50: 0.109 毫克/公斤 CHEMICAL IDENTIFICATION RTECS NUMBER : TA8400000 CHEMICAL NAME : Phosphonofluoridic acid, methyl-, isopropyl ester CAS REGISTRY NUMBER : 107-44-8 BEILSTEIN REFERENCE NO. : 1750114 LAST UPDATED : 199701 DATA ITEMS CITED : 32 MOLECULAR FORMULA : C4-H10-F-O2-P MOLECULAR WEIGHT : 140.11 WISWESSER LINE NOTATION : OPF1&OY1&1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human DOSE/DURATION : 2 ug/kg TOXIC EFFECTS : Behavioral - muscle weakness Lungs, Thorax, or Respiration - bronchiolar constriction Gastrointestinal - nausea or vomiting REFERENCE : JCINAO Journal of Clinical Investigation. (Rockefeller Univ. Press, 1230 York Ave., New York, NY 10021) V.1- 1924- Volume(issue)/page/year: 37,350,1958 TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Human - man DOSE/DURATION : 90 ug/m3 TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - miosis (pupillary constriction) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase REFERENCE : ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 56,201,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Human DOSE/DURATION : 28 mg/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - dyspnea REFERENCE : SCJUAD Science Journal. (London, UK) V.1-7, 1965-71. For publisher information, see NWSCAL. Volume(issue)/page/year: 3(4),33,1967 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 550 ug/kg TOXIC EFFECTS : Behavioral - coma Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - changes in structure or function of salivary glands REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB158-508 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 218 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 139,390,1963 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 103 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BJPCBM British Journal of Pharmacology. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.34- 1968- Volume(issue)/page/year: 39,822,1970 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 39 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 139,390,1963 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 108 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 5,S84,1985 TYPE OF TEST : LC50 - Lethal concentration, 50 percent kill ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 5 mg/m3/30M TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DEGEA3 Deutsche Gesundheitswesen. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 15,2179,1960 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1080 ug/kg TOXIC EFFECTS : Behavioral - coma Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - changes in structure or function of salivary glands REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB158-508 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 283 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 172,62,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 60 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DEGEA3 Deutsche Gesundheitswesen. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 15,2179,1960 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 109 ug/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - other changes Kidney, Ureter, Bladder - incontinence REFERENCE : JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 26,437,1989 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 164 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 31,807,1988 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 19 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 132,50,1961 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Primate - monkey DOSE/DURATION : 22300 ng/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands Skin and Appendages - hair REFERENCE : FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 5,S169,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Mammal - cat DOSE/DURATION : 30 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 91,55,1987 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - cat DOSE/DURATION : 22 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 132,50,1961 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 925 ug/kg TOXIC EFFECTS : Behavioral - coma Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - changes in structure or function of salivary glands REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB158-508 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 30 ug/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - muscle weakness REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 40,109,1977 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 15 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 3,353,1961 TYPE OF TEST : LC50 - Lethal concentration, 50 percent kill ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 128 mg/m3/2M TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1126,1986 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 30 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CJPPA3 Canadian Journal of Physiology and Pharmacology. (National Research Council of Canada, Publication Sales and Distribution, Ottawa ON K1A OR6, Canada) V.42- 1964- Volume(issue)/page/year: 46,109,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - hamster DOSE/DURATION : 95 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CJPPA3 Canadian Journal of Physiology and Pharmacology. (National Research Council of Canada, Publication Sales and Distribution, Ottawa ON K1A OR6, Canada) V.42- 1964- Volume(issue)/page/year: 46,109,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Bird - chicken DOSE/DURATION : 16673 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 52,71,1983 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 4250 ug/kg/85D-I TOXIC EFFECTS : Brain and Coverings - other degenerative changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase Related to Chronic Data - death REFERENCE : APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 57,234,1985 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1 mg/kg/40D-I TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Related to Chronic Data - death REFERENCE : RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD Pub. Ltd., P.O. Box 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 48,415,1985 TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 5 mg/m3/20M/10D-I TOXIC EFFECTS : Brain and Coverings - other degenerative changes Spinal Cord - other degenerative changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other esterases REFERENCE : JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 13,143,1993 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Mammal - cat DOSE/DURATION : 35 ug/kg/10D-I TOXIC EFFECTS : Peripheral Nerve and Sensation - sensory change involving peripheral nerve REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 91,55,1987 *** REVIEWS *** TOXICOLOGY REVIEW RREVAH Residue Reviews. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1962- Volume(issue)/page/year: 46,1,1973 TOXICOLOGY REVIEW CHREAY Chemical Reviews. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1924- Volume(issue)/page/year: 48,225,1951

安全

• 危险品运输编码: UN 2810
• 危险类别: 6.1(a)
• 海关编码: 2931900090

合成路线

1445-76-7 ~92% 107-44-8

文献：Tetrahedron Letters, , vol. 50, # 22 p. 2697 - 2699

1992-48-9 676-99-3 ~86% 107-44-8

文献：Journal of Organic Chemistry, , vol. 53, # 14 p. 3364 - 3365

676-99-3 67-63-0 ~% 107-44-8

文献：Bulletin des Societes Chimiques Belges, , vol. 68, p. 336,338,341.

1511-67-7 ~% 107-44-8

文献：Bulletin des Societes Chimiques Belges, , vol. 68, p. 336,338,341.

上下游产品

上游产品  5
1445-76-7 1992-48-9 676-99-3 67-63-0
1511-67-7
下游产品  5
993-13-5 78-82-0 64-19-7 1511-67-7
690-64-2

海关

海关编码	2931900090
中文概述	2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
Summary	2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%