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118-95-6

118-95-6结构式

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

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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

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

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

海关编码	2908999090

88-69-7结构式

88-69-7

~%

118-95-6结构式

118-95-6

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

上游产品 1
88-69-7
下游产品 0

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%