格螨酯

格螨酯 基本信息
CAS号 97-16-5 分子式 C12H8Cl2O3S
分子量 303.16100 精确质量  301.95700
PSA  51.75000 LogP  4.84190

基本信息 展开↓

CAS号:
97-16-5
分子式:
C12H8Cl2O3S
分子量:
303.16100
中文名称:
格螨酯
英文名称:
genit
中文别名:
格螨酯;
杀螨磺
英文别名:
genit;
Genitol;
2,4-dichloro-phenol;
EM 923;
GENITE;
2,4-dichlorophenyl benzenesulfonate;
Latka 923
精确分子量/精确质量:
301.95700
极性分子表面积/PSA:
51.75000
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。
贝尔斯坦号/MDL:
MFCD00055413
EINECS:
202-562-4
PubChem:
24869037
BRN:
2944672

物化性质展开↓

密度:
1.464 g/cm3
熔点:
53 °C
沸点:
87 °C / 12mmHg
闪点:
217ºC
折射率:
1.609
存储条件/存储方法:
库房通风低温干燥,与食品原料分开储运
稳定性相关:

燃烧产生有毒硫氧化物和氯化物气体

安全信息展开↓

海关代码:
2906299090
危险类别码:
R22
RTECS号:
SK9100000
危险标志:
Xn: Harmful;

合成路线查看所有的合成路线

  • 98-09-9

    苯磺酰氯

  • +

  • 120-83-2

    2.4二氯酚

  • 97-16-5

    格螨酯

  • 4358-63-8

    phenyl benzenesulfonate

  • 97-16-5

    格螨酯

化学图谱

  1. 格螨酯质谱(MS)

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毒理性展开↓

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
毒理学数据:

口服- 大鼠 LD50: 1000 毫克/ 公斤

海关数据查看详细

中国海关编码:2906299090

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
摘要/Summary:
2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。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: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

计算化学数据


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

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