131-89-5

• 常用中文名：消螨酚
• 常用英文名：2-Cyclohexyl-4,6-dinitrophenol
• CAS号：131-89-5
• 分子式：C₁₂H₁₄N₂O₅
• 分子量：266.250
• 发布时间：2018-06-14 19:18:07
• 更新时间：2024-01-02 20:57:39

名称

• 中文名: 消螨酚
• 英文名: dinex
• 中文别名: 2-环己基-4,6-二硝基苯酚; 4,6-二硝鄰環己苯酚
• 英文别名: MFCD00242897; DN; Dn Dry Mix No. 1; Dinitro-o-cyclohexylphenol; 2-cyclohexyl-4,6-dinitro-phenol; 3.5-Dinitro-2-hydroxy-1-cyclohexyl-benzol; Caswell No. 391; Dinex; EINECS 205-042-5; Dry mix No. 1; 2-CYCLOHEXYL-4,6-DINITROPHENOL; Dn Dust No. 12; Pedinex; Phenol, 2-cyclohexyl-4,6-dinitro-; Dowspray 17; 2,4-dinitro-6-cyclohexyl phenol; Dinitrocyclohexylphenol; DNOCHP

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 320.9±42.0 °C at 760 mmHg
• 分子式: C₁₂H₁₄N₂O₅
• 分子量: 266.250
• 闪点: 129.6±16.3 °C
• 精确质量: 266.090271
• PSA: 111.87000
• LogP: 4.26
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.613
• 储存条件: 库房通风低温干燥,与食品原料分开储运
• 分子结构:

  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:

  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

毒性和生态

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

安全

• 危害码 (欧洲): T: Toxic;N: Dangerous for the environment;
• 风险声明 (欧洲): 23/24/25-50/53
• 安全声明 (欧洲): S13;S45;S60;S61
• 危险品运输编码: UN 2779
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 2908999022

合成路线

119-42-6 ~% 131-89-5

文献：Monatshefte fuer Chemie, , vol. 68, p. 251,258

108-93-0 ~% 131-89-5

文献：Journal of the American Chemical Society, , vol. 55, p. 2064,2066

108-95-2 ~% 131-89-5

文献：Journal of the American Chemical Society, , vol. 55, p. 2064,2066

119-42-6 7697-37-2 ~% 131-89-5

文献：Journal of the American Chemical Society, , vol. 55, p. 2064,2066

67-66-3 119-42-6 7697-37-2 ~% 131-89-5

文献：Monatshefte fuer Chemie, , vol. 68, p. 251,258

上下游产品

上游产品  5
119-42-6 108-93-0 108-95-2 7697-37-2
67-66-3
下游产品  0

海关

海关编码	2908999022
中文概述	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%
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%