O,O,S-三甲基硫代磷酸酯

O,O,S-三甲基硫代磷酸酯 基本信息
CAS号 152-20-5 分子式 C3H9O3PS
分子量 156.14100 精确质量 　156.00100
PSA 　70.64000 LogP 　1.75030
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目录
基本信息 物化性质 安全信息 合成路线 化学图谱 毒性 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
152-20-5
3D弹球模型：
立即前往扯扯看
分子式：
C3H9O3PS
分子量：
156.14100
中文名称：
O,O,S-三甲基硫代磷酸酯
英文名称：
[methoxy(methylsulfanyl)phosphoryl]oxymethane
中文别名：
O,O,S-三甲基硫代磷酸酯
英文别名：
[methoxy(methylsulfanyl)phosphoryl]oxymethane;
thiophosphoric acid O,O',S-trimethyl ester;
O,O,S-trimethyl phosphorothiate;
8000 Bis HC;
phosphorothioic acid O,O,S-trimethyl ester;
O,O,S-Trimethyl phosphorothioate;
Dimethylthiomethylphosphate;
Thiophosphorsaeure-O,O',S-trimethylester;
Trimethyl phosphorothioate;
O,O,S-trimethyl thiophosphate;
HC7901
精确分子量/精确质量：
156.00100
极性分子表面积/PSA：
70.64000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
The Key: WTUNGUOZHBRADH-UHFFFAOYSA-N

物化性质展开↓

密度：
1.211g/cm3
沸点：
169ºC at 760mmHg
闪点：
56ºC

安全信息展开↓

海关代码：
2920190090

合成路线查看所有的合成路线

  • 67-56-1

    甲醇

  • +

  • 71216-76-7

    71216-76-7

  • →

    ~88%

  • 152-20-5

    O,O,S-三甲基硫代磷酸酯

  • 67-56-1

    甲醇

  • +

  • 65960-94-3

    N,N-dimethyl O,S-dimethyl phosphoramidothioate

  • →

    ~78%

  • 152-20-5

    O,O,S-三甲基硫代磷酸酯

  • 67-56-1

    甲醇

  • +

  • 10265-92-6

    甲胺磷

  • →

    ~74%

  • 152-20-5

    O,O,S-三甲基硫代磷酸酯

化学图谱

  1. 二甲基硫甲基磷酸酯质谱(MS)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TG3880000
CHEMICAL NAME :
Phosphorothioic acid, O,O,S-trimethyl ester
CAS REGISTRY NUMBER :
152-20-5
BEILSTEIN REFERENCE NO. :
1702881
LAST UPDATED :
199612
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C3-H9-O3-P-S
MOLECULAR WEIGHT :
156.15
WISWESSER LINE NOTATION :
1SPO&O1&O1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
15 mg/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Blood - hemorrhage Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 27,463,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
51 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - antipsychotic Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 51,221,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
45 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - muscle contraction or spasticity Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
DTESD7 52 Vanderbilt Ave., New York, NY 10017) V.1-15, 1977-87. Discontinued 52 Vanderbilt Ave., New York, NY 10017) V.1- 1977- Volume(issue)/page/year: 8,631,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
38 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Skin and Appendages - hair
REFERENCE :
PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 24,251,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ACPMAP Actualites Pharmacologiques. (Paris, France) No.1-33, 1949-81. For publisher information, see JNPHAG. Volume(issue)/page/year: 16,7,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
123 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - muscle contraction or spasticity Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
DTESD7 52 Vanderbilt Ave., New York, NY 10017) V.1-15, 1977-87. Discontinued 52 Vanderbilt Ave., New York, NY 10017) V.1- 1977- Volume(issue)/page/year: 8,631,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Kidney, Ureter, Bladder - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain
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: 7,481,1981 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
28 mg/kg
SEX/DURATION :
female 19-22 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - respiratory system
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 63,331,1989
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2500 ug/kg
SEX/DURATION :
female 20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive)
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 61,378,1988
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
40 mg/kg
SEX/DURATION :
female 8-10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 32,185,1986
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
40 mg/kg
SEX/DURATION :
female 20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 61,378,1988
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
10 mg/kg
SEX/DURATION :
female 20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - respiratory system
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 61,378,1988

海关数据查看详细

中国海关编码：2920190090

概述：
2920190090 其他硫代磷酸酯及其盐（包括它们的卤化，磺化，硝化和亚硝化衍生物）。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2920190090 other thiophosphoric esters (phosphorothioates) and their salts; their halogenated, sulphonated, nitrated or nitrosated derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据

1、  摩尔折射率：34.30

2、  摩尔体积（cm3/mol）：128.8

3、  等张比容（90.2K）：313.6

4、  表面张力（dyne/cm）：35.0

5、  极化率（10-24cm3）：13.60

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