118-95-6

• 常用中文名：Phenol,2-(1-methylethyl)-4,6-dinitro-
• 常用英文名：Phenol,2-(1-methylethyl)-4,6-dinitro-
• CAS号：118-95-6
• 分子式：C₉H₁₀N₂O₅
• 分子量：226.18600
• 发布时间：2016-02-02 06:18:14
• 更新时间：2024-02-16 21:58:05

名称

• 英文名: 2,4-dinitro-6-propan-2-ylphenol
• 英文别名: 4,6-dinitro-o-isopropylphenol; 2,4-Dinitro-6-isopropylphenol; Phenol,2,4-dinitro-6-isopropyl; 4,6-Dinitro-2-isopropyl-phenol; Dinitro-iso-propylphenol; 2-isopropyl-4,6-dinitro-phenol; Motylkopielik; DNPP

物化性质

• 密度: 1.399 g/cm3
• 沸点: 302.8ºC at 760 mmHg
• 分子式: C₉H₁₀N₂O₅
• 分子量: 226.18600
• 闪点: 127.5ºC
• 精确质量: 226.05900
• PSA: 111.87000
• LogP: 3.37840
• 外观性状: 无色或淡黄色透明
• 蒸汽压: 0.000538mmHg at 25°C
• 折射率: 1.601
• 分子结构:

  1、 摩尔折射率：55.41

  2、 摩尔体积（cm³/mol）：161.6

  3、 等张比容（90.2K）：448.2

  4、 表面张力（dyne/cm）：59.1

  5、 极化率（10-24cm3）：21.96

• 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:16

  8.表面电荷:0

  9.复杂度:283

  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 : SL3075000 CHEMICAL NAME : Phenol, 2,4-dinitro-6-isopropyl- CAS REGISTRY NUMBER : 118-95-6 BEILSTEIN REFERENCE NO. : 2136067 LAST UPDATED : 199612 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C9-H10-N2-O5 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 : 63 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,62,1982 TYPE OF TEST : LD80 - Lethal Dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 300 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,62,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 45 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,62,1982 TYPE OF TEST : LD66 - Lethal Dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - cat DOSE/DURATION : 30 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,62,1982 TYPE OF TEST : LC33 - Lethal Concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Mammal - cat DOSE/DURATION : 325 mg/m3/4H TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,62,1982 TYPE OF TEST : LD60 - Lethal Dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,62,1982

安全

• 海关编码: 2908999090

合成路线

88-69-7 ~% 118-95-6

文献：Canadian Journal of Chemistry, , vol. 31, p. 685

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海关

海关编码	2908999090
中文概述	2908999090 其他酚及酚醇的卤化等衍生物（包括其磺化、硝化或亚硝化衍生物）. 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	2908999090 halogenated, sulphonated, nitrated or nitrosated derivatives of phenols or phenol-alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%