5-甲氧基-2,4-二硝基苯酚

5-甲氧基-2,4-二硝基苯酚 基本信息
CAS号 51652-35-8 分子式 C7H6N2O6
分子量 214.13200 精确质量 　214.02300
PSA 　121.10000 LogP 　2.26360
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
51652-35-8
3D弹球模型：
立即前往扯扯看
分子式：
C7H6N2O6
分子量：
214.13200
中文名称：
5-甲氧基-2,4-二硝基苯酚
英文名称：
5-METHOXY-2,4-DINITROPHENOL
中文别名：
5-甲氧基-2,4-二硝基苯酚;
6-amino-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one;
Fluoresceinamine isomer II;
5,7-Dihydroxyimidazo[1,2-a]pyrimidine;
N-boc-1,5-diaminopentane;
4'-Piperazinoacetophenone;
4-Piperazinoacetophenone;
2-(4-Chlorophenyl)-3-Methylbutyl Chlorid;
4-Chloro-1-(1-Methylethyl)Benzeneacetyl Chloride;
3-Methyl-2-(4-Chlorophenyl)Butyrylchloride;
Ss-(+)- Alpha-Isopropyl-4-Chlorophenylacetic Acid;
3-Methyl-2-(4-chlorophenyl)butyryl chloride;
Sumicide;
Sumifly;
Sumipower;
Sumitox;
RS)-α-cyano-3-phenoxybenzyl (RS)-2-(4-chlorophenyl)-3-methylbutyrate;
cyano(3-phenoxyphenyl)methyl 4-chloro-α-(1-methylethyl)benzeneacetate;
cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate;
Fenvalerate
英文别名：
5-METHOXY-2,4-DINITROPHENOL;
4.6-Dinitro-3-hydroxy-1-methoxy-benzol;
4.6-dinitro-3-hydroxy-1-methoxy-benzene;
Phenol,5-methoxy-2,4-dinitro;
5-methoxy-2,4-dinitro-phenol;
2,4-Dinitro-5-methoxyphenol;
4.6-Dinitro-resorcinmonomethylaether;
4,6-dinitro-3-methoxyphenol
精确分子量/精确质量：
214.02300
极性分子表面积/PSA：
121.10000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
InChI=1/C7H6N2O6/c1-15-7-3-6(10)4(8(11)12)2-5(7)9(13)14/h2-3,10H,1H3

物化性质展开↓

密度：
1.579g/cm3
熔点：
107-109ºC
沸点：
397.5ºC at 760mmHg
闪点：
194.2ºC
折射率：
1.624

安全信息展开↓

海关代码：
2909500000
危险类别码：
R20/21/22
安全说明：
26-36/37/39

合成路线查看所有的合成路线

  • 3698-83-7

    1,5-二氯-2,4-二硝基苯

  • →

    ~92%

  • 51652-35-8

    5-甲氧基-2,4-二硝基苯酚

  • 150-19-6

    3-甲氧基苯酚

  • →

    ~76%

  • 51652-35-8

    5-甲氧基-2,4-二硝基苯酚

  • 704-14-3

    5-甲氧基-2-硝基苯酚

  • +

  • 7697-37-2

    硝酸

  • →

  • 51652-35-8

    5-甲氧基-2,4-二硝基苯酚

MSDS 展开↓

Name: 5-methoxy-2 4-dinitrophenol Material Safety Data Sheet
Synonym:
CAS: 51652-35-8
Section 1 - Chemical Product   MSDS Name:5-methoxy-2 4-dinitrophenol Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
51652-35-8 5-methoxy-2,4-dinitrophenol 97 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.
Section 4 - FIRST AID MEASURES
  Eyes: Not available.
Skin:
Not available.
Ingestion:
Not available.
Inhalation:
Not available.
Notes to Physician:
Section 5 - FIRE FIGHTING MEASURES
  General Information:
Not available.
Extinguishing Media:
Not available.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Not available.
Section 7 - HANDLING and STORAGE
  Handling:
Not available.
Storage:
Not available.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Exposure Limits CAS# 51652-35-8: Personal Protective Equipment Eyes: Not available.
Skin:
Not available.
Clothing:
Not available.
Respirators:
Not available.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 107 - 109 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H16N2O
Molecular Weight: 192
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Not available.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 51652-35-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-methoxy-2,4-dinitrophenol - Not listed by ACGIH, IARC, or NTP.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
 
IATA
No information available.
IMO
No information available.
RID/ADR
No information available.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 51652-35-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 51652-35-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51652-35-8 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2909500000

概述：
2909500000. 醚酚、醚醇酚及其卤化、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：
2909500000 ether-phenols, ether-alcohol-phenols and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据

1.疏水参数计算参考值（XlogP）:1.7

2.氢键供体数量:1

3.氢键受体数量:6

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:121

7.重原子数量:15

8.表面电荷:0

9.复杂度:259

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

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