3,5-二氯苯甲醚

3,5-二氯苯甲醚 基本信息
CAS号 33719-74-3 分子式 C7H6Cl2O
分子量 177.02800 精确质量  175.98000
PSA  9.23000 LogP  3.00200

基本信息 展开↓

CAS号:
33719-74-3
3D弹球模型:
立即前往扯扯看
分子式:
C7H6Cl2O
分子量:
177.02800
中文名称:
3,5-二氯苯甲醚
英文名称:
1,3-dichloro-5-methoxybenzene
中文别名:
3,5-二氯苯甲醚;
1,3-二氯-5-甲氧基苯
英文别名:
1,3-dichloro-5-methoxybenzene;
3,5-dichlorophenol anisole;
3,5-Dichloroanisole;
3.5-Dichlor-1-methoxy-benzol;
Benzene,3,5-dichloro-1-methoxy;
Methyl-(3.5-dichlor-phenyl)-aether;
3,5-Dichlor-anisol;
1,3-Dichloro-5-methoxybenzene;
3,5-dichloro-anisole
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:
MFCD00000589
EINECS:
251-655-6
PubChem:
24862603
BRN:
1936395
InChI:
InChI=1/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3

物化性质展开↓

密度:
1.289g/cm3
熔点:
39-41 °C (dec.)(lit.)
沸点:
97°C 7,6mm
闪点:
223 °F
折射率:
1.534
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

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:白色晶体粉末

2.         密度(g/mL,20):未确定

3.         相对蒸汽密度(g/mL,空气=1):未确定

4.         熔点(ºC):39-42

5.         沸点(ºC,常压):未确定

6.         沸点(ºC,1.1KPa):97

7.         折射率:未确定

8.         闪点(ºC):106.1

9.         比旋光度(º):未确定

10.      自燃点或引燃温度(ºC):未确定

11.      蒸气压(Pa,20ºC):未确定

12.      饱和蒸气压(KPa,20ºC):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:未确定

安全信息展开↓

海关代码:
2909309090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R20/22;R36/37/38
安全说明:
S22-S24/25-S37/39-S26
安全标志:
S22:不要吸入粉尘。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S24/25:防止皮肤和眼睛接触。
:
危险标志:
Xn:Harmful;

合成路线查看所有的合成路线

  • 591-35-5

    3,5-二氯苯酚

  • +

  • 616-38-6

    碳酸二甲酯

  • ~99%

  • 33719-74-3

    3,5-二氯苯甲醚

  • 591-35-5

    3,5-二氯苯酚

  • +

  • 77-78-1

    硫酸二甲酯

  • ~99%

  • 33719-74-3

    3,5-二氯苯甲醚

  • 108-70-3

    1,3,5-三氯苯

  • +

  • 124-41-4

    甲醇钠

  • ~97%

  • 33719-74-3

    3,5-二氯苯甲醚

毒理性展开↓

生态数据:

通常对水是稍微有危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: 3 5-Dichloroanisole 98% Material Safety Data Sheet
Synonym: 1,3-Dichloro-5-methoxybenzen
CAS: 33719-74-3
Section 1 - Chemical Product   MSDS Name:3 5-Dichloroanisole 98% Material Safety Data Sheet
Synonym:1,3-Dichloro-5-methoxybenzen

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
33719-74-3 3,5-Dichloroanisole 98% 251-655-6
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 33719-74-3: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystalline powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 38 - 42 deg C
Autoignition Temperature: Not available.
Flash Point: 106 deg C ( 222.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
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.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 33719-74-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,5-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.
WGK (Water Danger/Protection)
CAS# 33719-74-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 33719-74-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 33719-74-3 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: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↓

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:97.8

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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