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2-异丙基-4,6二硝基苯酚
- 基本信息
- 物化性质
- 安全信息
- 毒理性
- 海关数据
- 结构与计算化学
- 上游产品
2-异丙基-4,6二硝基苯酚 基本信息
- 中文名称：
- 2-异丙基-4,6二硝基苯酚
- 中文别名：
- 2-异丙基-4,6二硝基苯酚;
2,4-dinitro-6-propan-2-ylphenol
- 英文名称：
- Phenol,2-(1-methylethyl)-4,6-dinitro-
- 英文别名：
- 2,4-dinitro-6-propan-2-ylphenol;
Phenol,2,4-dinitro-6-isopropyl;
DNPP;
Motylkopielik;
4,6-Dinitro-2-isopropyl-phenol;
Dinitro-iso-propylphenol;
4,6-dinitro-o-isopropylphenol;
2,4-Dinitro-6-isopropylphenol;
2-isopropyl-4,6-dinitro-phenol
- CAS No.：
- 118-95-6
- 分 子 式：
- C9H10N2O5
- 分 子 量：
- 226.1861
- 精确分子量：
- 226.05900
- PSA：
- 111.87000
- InChI：
- The Key: HBYHYLBZPLCIEE-UHFFFAOYSA-N
- 分子结构式：
-
- SDS：
- 查看
2-异丙基-4,6二硝基苯酚 物化性质
- 外观与性状：
- 无色或淡黄色透明
- 密度：
- 1.399 g/cm3
- 沸点：
- 302.8ºC at 760 mmHg
- 闪点：
- 127.5ºC
- 折射率：
- 1.601
- 蒸汽压：
- 0.000538mmHg at 25°C
2-异丙基-4,6二硝基苯酚 毒理性
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
2-异丙基-4,6二硝基苯酚 海关数据
中国海关编码：2908999090
- 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
- 摘要/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%
2-异丙基-4,6二硝基苯酚 分子结构与计算化学数据
分子结构数据
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: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
