消螨酚

消螨酚 基本信息
CAS号 131-89-5 分子式 C12H14N2O5
分子量 266.25000 精确质量 　266.09000
PSA 　111.87000 LogP 　4.30270
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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：
131-89-5
3D弹球模型：
立即前往扯扯看
分子式：
C12H14N2O5
分子量：
266.25000
中文名称：
消螨酚
英文名称：
dinex
中文别名：
消螨酚;
2-环己基-4,6-二硝基苯酚;
4,6-二硝鄰環己苯酚
英文别名：
dinex;
2-CYCLOHEXYL-4,6-DINITROPHENOL;
Dry mix No. 1;
DNOCHP;
2-cyclohexyl-4,6-dinitro-phenol;
Caswell No. 391;
2-cyclohexyl-4,6-dinitrophenol;
2,4-dinitro-6-cyclohexyl phenol;
Dn Dry Mix No. 1;
2-Cyclohexyl-4,6-dinitrophenol;
3.5-Dinitro-2-hydroxy-1-cyclohexyl-benzol;
Dinitrocyclohexylphenol;
Dinex;
Dn Dust No. 12;
Dinitro-o-cyclohexylphenol;
Dowspray 17
精确分子量/精确质量：
266.09000
极性分子表面积/PSA：
111.87000
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：
MFCD00242897
EINECS：
205-042-5
PubChem：
24851132
InChI：
The Key: QJYHUJAGJUHXJN-UHFFFAOYSA-N

物化性质展开↓

密度：
1.381g/cm3
沸点：
320.9ºC at 760mmHg
闪点：
129.6ºC
折射率：
1.603
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

安全信息展开↓

包装等级：
III
风险类别：
6.1(b)
海关代码：
2908999022
危险类别码：
23/24/25-50/53
安全标志：
S13:远离食品、饮料和动物饲料。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
S60:本物质残余物和容器必须作为危险废物处理。
S61:避免排放到环境中。参考专门的说明/安全数据表。
危险标志：
T: Toxic;N: Dangerous for the environment;

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    消螨酚

化学图谱

  1. 消螨酚质谱(MS)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SK6650000
CHEMICAL NAME :
Phenol, 2-cyclohexyl-4,6-dinitro-
CAS REGISTRY NUMBER :
131-89-5
BEILSTEIN REFERENCE NO. :
2005960
LAST UPDATED :
199710
DATA ITEMS CITED :
20
MOLECULAR FORMULA :
C12-H14-N2-O5
MOLECULAR WEIGHT :
266.28
WISWESSER LINE NOTATION :
L6TJ AR BQ CNW ENW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 30,10,1948 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
65 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARSIM* Agricultural Research Service, USDA Information Memorandum. (Beltsville, MD 20705) Volume(issue)/page/year: 20,9,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85DPAN "Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976 Volume(issue)/page/year: -,-,1971/1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 18,1389,1969
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
30 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes
REFERENCE :
UCPHAQ University of California, Berkeley, Publications in Pharmacology. (Berkeley, CA) V.1-3, 1938-57. Discontinued. Volume(issue)/page/year: 1,151,1939
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
20 mg/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: 53,58,1935
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
8 mg/kg
TOXIC EFFECTS :
Cardiac - arrhythmias (including changes in conduction) Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - body temperature increase
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: 50,20,1935
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
81 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0536145
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
UCPHAQ University of California, Berkeley, Publications in Pharmacology. (Berkeley, CA) V.1-3, 1938-57. Discontinued. Volume(issue)/page/year: 1,151,1939
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
50 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: -,417,1966
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1 gm/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: -,417,1966
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
20 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: -,417,1966
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Bird - pigeon
DOSE/DURATION :
7 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: 50,20,1935
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Bird - pigeon
DOSE/DURATION :
8 mg/kg
TOXIC EFFECTS :
Nutritional and Gross Metabolic - body temperature increase
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: 53,58,1935
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
76 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0536145
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
50 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: -,101,1971 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4200 mg/kg/2W-C
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
UCPHAQ University of California, Berkeley, Publications in Pharmacology. (Berkeley, CA) V.1-3, 1938-57. Discontinued. Volume(issue)/page/year: 1,151,1939

海关数据查看详细

中国海关编码：2908999022

概述：
2908999022 消螨酚。监管条件:S(进出口农药登记证明)。增值税率:17.0%。退税率:0.0%。最低关税:5.5%。普通关税:30.0%
摘要/Summary：
2908999022 2-cyclohexyl-4,6-dinitrophenol。supervision conditions:s(import or export registration certificate for pesticides)。VAT:17.0%。tax rebate rate:0.0%。MFN tarrif: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

五、分子性质数据：

1、   摩尔折射率：67.08

2、   摩尔体积（m3/mol）：192.7

3、   等张比容（90.2K）：539.6

4、   表面张力（dyne/cm）：61.4

5、   极化率（10-24cm3）：26.59

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:1

3.氢键受体数量:5

4.可旋转化学键数量:1

5.互变异构体数量:4

6.拓扑分子极性表面积112

7.重原子数量:19

8.表面电荷:0

9.复杂度:345

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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