97-16-5

• 常用中文名：格螨酯
• 常用英文名：Phenol, 2,4-dichloro-,1-benzenesulfonate
• CAS号：97-16-5
• 分子式：C₁₂H₈Cl₂O₃S
• 分子量：303.16100
• 相关类别： 分析化学 标准品 农残、兽药及化肥类
• 发布时间：2018-06-18 09:56:22
• 更新时间：2024-01-08 10:56:24
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名称

• 中文名: 格螨酯
• 英文名: genit
• 中文别名: 杀螨磺
• 英文别名: GENITE; EM 923; 2,4-dichlorophenyl benzenesulfonate; Genitol; 2,4-dichloro-phenol; Latka 923; MFCD00055413; EINECS 202-562-4

物化性质

• 密度: 1.464 g/cm3
• 沸点: 87 °C / 12mmHg
• 熔点: 53 °C
• 分子式: C₁₂H₈Cl₂O₃S
• 分子量: 303.16100
• 闪点: 217ºC
• 精确质量: 301.95700
• PSA: 51.75000
• LogP: 4.84190
• 折射率: 1.609
• 储存条件:

  库房通风低温干燥; 与食品原料分开储运

• 稳定性:

  燃烧产生有毒硫氧化物和氯化物气体

• 分子结构:

  1、 摩尔折射率：71.67

  2、 摩尔体积（cm³/mol）：206.9

  3、 等张比容（90.2K）：551.7

  4、 表面张力（dyne/cm）：50.4

  5、 极化率（10^-24cm³）：28.41

• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.3

  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:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积51.8

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:360

  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:0

  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: 口服- 大鼠 LD50: 1000 毫克/ 公斤 CHEMICAL IDENTIFICATION RTECS NUMBER : SK9100000 CHEMICAL NAME : Phenol, 2,4-dichloro-, benzenesulfonate CAS REGISTRY NUMBER : 97-16-5 BEILSTEIN REFERENCE NO. : 2944672 LAST UPDATED : 199612 DATA ITEMS CITED : 8 MOLECULAR FORMULA : C12-H8-Cl2-O3-S MOLECULAR WEIGHT : 303.16 WISWESSER LINE NOTATION : WSR&OR BG 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 : 1 gm/kg 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: -,1069,1986 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 30ZDA9 "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971 Volume(issue)/page/year: -,274,1971 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 620 mg/kg TOXIC EFFECTS : Cardiac - cardiomegaly Blood - hemorrhage 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: 121,306,1959 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 700 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PCOC** Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. (Topeka, KS) Volume(issue)/page/year: -,556,1966 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >940 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : WRPCA2 World Review of Pest Control. (London, UK) V.1-10, 1962-71. Discontinued. Volume(issue)/page/year: 9,119,1970 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 115 mg/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: 121,306,1959 ** TUMORIGENIC DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 260 gm/kg/78W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB223-159 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1000 mg/kg TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Blood - tumors REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB223-159

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302
• 警示性声明: P301 + P312 + P330
• 个人防护装备: dust mask type N95 (US);Eyeshields;Faceshields;Gloves
• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R22
• 危险品运输编码: NONH for all modes of transport
• RTECS号: SK9100000
• 海关编码: 2906299090

合成路线

4358-63-8 ~% 97-16-5

文献：Zhurnal Obshchei Khimii, , vol. 26, p. 2579 p. 2875

98-09-9 120-83-2 ~% 97-16-5

文献：Ann.Rep.East Malling Res.Sta., , p. 171,173

上下游产品

上游产品  3
4358-63-8 98-09-9 120-83-2
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515-46-8 50884-30-5

海关

海关编码	2906299090
中文概述	2906299090 其他芳香醇. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%