2,5-二氯苯甲醚

2,5-二氯苯甲醚 基本信息
CAS号 1984-58-3 分子式 C7H6Cl2O
分子量 177.02800 精确质量 　175.98000
PSA 　9.23000 LogP 　3.00200
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目录
基本信息 物化性质 安全信息 合成路线 化学图谱 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
1984-58-3
分子式：
C7H6Cl2O
分子量：
177.02800
中文名称：
2,5-二氯苯甲醚
英文名称：
1,4-dichloro-2-methoxybenzene
中文别名：
2,5-二氯苯甲醚;
9H,9H-[3,3]Bicarbazolyl;
9H,9'H-3,3'-bicarbazole;
9H-3,3'-bicarbazole;
3,3'-Bicarbazole;
Methylenebis[phosphonic acid];
Methylenediphosphonic acid;
Methylene diphosphonate;
methanediylbis(phosphonic acid);
Medronic Acid;
sodiumsulfadimidine;
sodiumsulfametazine;
sodiumsulfamethazine;
sodiumsulfamethiazine;
sodiumsulfamezathine;
sodiumsulphamezathine;
sulfamethazinesodium;
sulmet;
vesadin;
benzenesulfonamide, 4-amino-n-(4,6-dimethyl-2-;
pyrimidinyl)-, monosodium salt;
sulfadimidine sodium(sm2-na)(ndc:56631-0901);
sodiumsulphamethazine;
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;
sodium [(4-aminophenyl)sulfonyl](4,6-dimethylpyrimidin-2-yl)azanide;
4-Amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide;
Sulfamethazine Sodium
英文别名：
1,4-dichloro-2-methoxybenzene;
2,5-Dichlor-anisol;
Benzene,1,4-dichloro-2-methoxy;
Anisole,2,5-dichloro;
1,4-dichloro-2-methoxy-benzene;
2,5-Dichloromethoxybenzene;
EINECS 217-852-6;
2.5-Dichlor-1-methoxy-benzol;
2,4-DICHLOROTHIAZOLE-5-CARBOXALDEHYDE;
2,5-Dichloroanisole
精确分子量/精确质量：
175.98000
极性分子表面积/PSA：
9.23000
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。
贝尔斯坦号/MDL：
MFCD00061123
EINECS：
217-852-6
BRN：
2327401
InChI：
InChI=1/C7H6Cl2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3

物化性质展开↓

外观与性状：
无色至淡黄色液体
密度：
1.289 g/cm3
熔点：
24ºC
沸点：
218.5ºC at 760 mmHg
闪点：
87.9ºC
折射率：
1.5615-1.5635
蒸汽压：
0.185mmHg at 25°C
存储条件/存储方法：

密封、在2 ºC -8 ºC下保存

稳定性相关：

如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物

        

其它信息：

1.       性状：液体

2.       密度（g/mL,20ºC）：1.33

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：未确定

5.       沸点（ºC）：未确定

6.       沸点（ºC，3.5mmHg）：128-132

7.       折射率：1.5615-1.5635

8.       闪点（°C）：21

9.       比旋光度（ºF）：未确定

10.    自燃点或引燃温度（ºC）：未确定

11.    蒸气压（kPa,25ºC）：未确定

12.    饱和蒸气压（kPa,110ºC）：未确定

13.    燃烧热（KJ/mol）：未确定

14.    临界温度（ºC）：未确定

15.    临界压力（KPa）：未确定

16.    油水（辛醇/水）分配系数的对数值：未确定

17.    爆炸上限（%,V/V）：未确定

18.    爆炸下限（%,V/V）：未确定

19.    溶解性：难溶解于水的

安全信息展开↓

海关代码：
2909309090
危险类别码：
R36/37/38
安全说明：
37/39-26-23
危险标志：
Xn: Harmful;Xi: Irritant;

合成路线查看所有的合成路线

  • 124-41-4

    甲醇钠

  • +

  • 120-82-1

    三氯苯

  • →

    ~87%

  • 1984-58-3

    2,5-二氯苯甲醚

  • 29682-41-5

    1,4-二氯-2-碘苯

  • +

  • 124-41-4

    甲醇钠

  • →

  • 106-46-7

    对二氯苯

  • +

  • 583-78-8

    2,5-二氯苯酚

  • 348-59-4

    1,4-二氯-2-氟苯

  • +

  • 124-41-4

    甲醇钠

  • →

  • 583-78-8

    2,5-二氯苯酚

  • +

  • 1984-58-3

    2,5-二氯苯甲醚

化学图谱

  1. 2,5-二氯苯甲醚质谱(MS)

  2. 2,5-二氯苯甲醚核磁图(13CNMR)

  3. 2,5-二氯苯甲醚核磁图(1HNMR)

上一页 1/4 下一页

毒理性展开↓

生态数据：

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

MSDS 展开↓

Name: 2 5-Dichloroanisole 99% Material Safety Data Sheet
Synonym: 1,4-Dichloro-2-Methoxybenzene
CAS: 1984-58-3
Section 1 - Chemical Product   MSDS Name:2 5-Dichloroanisole 99% Material Safety Data Sheet
Synonym:1,4-Dichloro-2-Methoxybenzene
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1984-58-3 2,5-Dichloroanisole 99 217-852-6
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1984-58-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: clear very slight yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.3330g/cm3
Molecular Formula: C7H6Cl2O
Molecular Weight: 177.03
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1984-58-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,5-Dichloroanisole - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 1984-58-3: No information available.
Canada
CAS# 1984-58-3 is listed on Canada's NDSL List.
CAS# 1984-58-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1984-58-3 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2909309090

概述：
2909309090 其他芳香醚及其卤化衍生物、磺化、硝化衍生物（包括亚硝化衍生物）。监管条件:无。增值税率:17.0%。退税率:9.0%。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：
2909309090 other aromatic ethers 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↓

分子结构数据

1、   摩尔折射率：42.72

2、   摩尔体积（m3/mol）：137.3

3、   等张比容（90.2K）：335.6

4、   表面张力（dyne/cm）：35.6

5、   介电常数（F/m）：无可用

6、   偶极距（D）：无可用

7、   极化率（10-24cm3）：16.93

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:0

3.氢键受体数量:1

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积9.2

7.重原子数量:10

8.表面电荷:0

9.复杂度:108

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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