5571-97-1

• 常用中文名：二氯嗪酮
• 常用英文名：2-(3,4-dichlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
• CAS号：5571-97-1
• 分子式：C₁₁H₁₁Cl₂NO₃S
• 分子量：308.18100
• 发布时间：2018-08-04 19:02:45
• 更新时间：2024-01-02 21:36:01

名称

• 中文名: 二氯嗪酮
• 英文名: 2-(3,4-dichlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
• 英文别名: Dichlormethazanone; 2-(3,4-Dichlorophenyl)-3-methyl-4-metathiazanone 1,1-dioxide; (-)-2-(3,4-Dichlorphenyl)-tetrahydro-3-methyl-4H-1,3-thiazin-4-on-1,1-dioxid; Dichlormezanonum [INN-Latin]; Diclormezanona [INN-Spanish]; 2-(3,4-dichlorophenyl)-3-methyl-1,3-thiazinan-4-one 1,1-dioxide; Dichlormezanone

物化性质

• 密度: 1.476g/cm3
• 沸点: 555.4ºC at 760 mmHg
• 分子式: C₁₁H₁₁Cl₂NO₃S
• 分子量: 308.18100
• 闪点: 289.7ºC
• 精确质量: 306.98400
• PSA: 62.83000
• LogP: 3.28760
• 折射率: 1.588
• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.7

  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:1

  5.互变异构体数量:2

  6.拓扑分子极性表面积:62.8

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:434

  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

CHEMICAL IDENTIFICATION RTECS NUMBER : XJ1225000 CHEMICAL NAME : 4H-1,3-Thiazin-4-one, 2-(3,4-dichlorophenyl)tetrahydro-3-methyl-, 1,1-dioxide CAS REGISTRY NUMBER : 5571-97-1 LAST UPDATED : 199206 DATA ITEMS CITED : 7 MOLECULAR FORMULA : C11-H11-Cl2-N-O3-S MOLECULAR WEIGHT : 308.19 WISWESSER LINE NOTATION : T6VN DSWTJ B1 CR CG DG 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 : 1050 mg/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: 1,168,1959 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 840 mg/kg TOXIC EFFECTS : Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - ataxia 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: 122,517,1957 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 570 mg/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: 1,168,1959 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - cat DOSE/DURATION : 300 mg/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: 1,168,1959 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Mammal - cat DOSE/DURATION : 400 mg/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: 1,168,1959 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 3975 mg/kg/5D-C TOXIC EFFECTS : Related to Chronic Data - death REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 1,168,1959 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Primate - monkey DOSE/DURATION : 14445 mg/kg/54W-I TOXIC EFFECTS : Behavioral - tremor Behavioral - changes in motor activity (specific assay) Behavioral - ataxia REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 1,168,1959

合成路线

114676-16-3 ~% 5571-97-1

文献：Blaschke, Gottfried; Fraenkel, Werner; Froehlingsdorf, Bernd; Marx, Annemarie Liebigs Annalen der Chemie, 1988 , p. 753 - 756

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