4097-36-3

• 常用中文名：戊硝酚
• 常用英文名：Phenol,2-(1-methylbutyl)-4,6-dinitro-
• CAS号：4097-36-3
• 分子式：C₁₁H₁₄N₂O₅
• 分子量：254.23900
• 发布时间：2018-02-17 08:00:00
• 更新时间：2024-01-02 20:18:09

名称

• 中文名: 戊硝酚
• 英文名: dinosam
• 英文别名: DNOSAP; 2,4-dinitro-6-pentan-2-ylphenol; 2,4-dinitro-6-sec-amylphenol; rac-2,4-dinitro-6-[(2R)-pentan-2-yl]phenol; 2-(1-methylbutyl)-4,6-dinitrophenol; Caswell No. 388; (RS)-2-(1-methylbutyl)-4,6-dinitrophenol; Dinosame; Chemox general; 4,6-Dinitro-o-sec-amylphenol; Dinosam; 2-sec.amyl-4,6-dinitrophenol; DNAP

物化性质

• 密度: 1.311g/cm3
• 沸点: 381.7ºC at 760 mmHg
• 分子式: C₁₁H₁₄N₂O₅
• 分子量: 254.23900
• 闪点: 160ºC
• 精确质量: 254.09000
• PSA: 111.87000
• LogP: 4.15860
• 折射率: 1.581
• 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:3

  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:18

  8.表面电荷:0

  9.复杂度:312

  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 : SL9275000 CHEMICAL NAME : Phenol, 2-(1-methylbutyl)-4,6-dinitro- CAS REGISTRY NUMBER : 4097-36-3 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C11-H14-N2-O5 MOLECULAR WEIGHT : 254.27 WISWESSER LINE NOTATION : WNR BQ ENW CY3&1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3800 ug/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea REFERENCE : CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,61,1954

安全

• 危害码 (欧洲): T,N
• 风险声明 (欧洲): 23/24/25-50/53
• 安全声明 (欧洲): 13-45-60-61
• 危险品运输编码: UN 3013
• 包装等级: II
• 危险类别: 6.1(a)
• 海关编码: 2908999023

合成路线

91763-96-1 ~% 4097-36-3

文献：Dutton,G.G.S. et al. Canadian Journal of Chemistry, 1964 , vol. 42, p. 480 - 482

4125-49-9 ~% 4097-36-3

文献：Dutton,G.G.S. et al. Canadian Journal of Chemistry, 1964 , vol. 42, p. 480 - 482

118452-82-7 ~% 4097-36-3

文献：Dutton,G.G.S. et al. Canadian Journal of Chemistry, 1964 , vol. 42, p. 480 - 482

87-26-3 ~% 4097-36-3

文献：Dutton,G.G.S. et al. Canadian Journal of Chemistry, 1964 , vol. 42, p. 480 - 482

上下游产品

上游产品  2
4125-49-9 87-26-3
下游产品  0

海关

海关编码	2908999023
中文概述	2908999023 戊硝酚。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	2908999023 2,4-dinitro-6-(pentan-2-yl)phenol。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%