2-甲氧基氯化苄

2-甲氧基氯化苄 基本信息
CAS号 7035-02-1 分子式 C8H9ClO
分子量 156.60900 精确质量  156.03400
PSA  9.23000 LogP  2.43400

基本信息 展开↓

CAS号:
7035-02-1
3D弹球模型:
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分子式:
C8H9ClO
分子量:
156.60900
中文名称:
2-甲氧基氯化苄
英文名称:
2-Methoxybenzyl chloride
中文别名:
2-甲氧基氯化苄;
2-甲氧基氯苄;
2-甲氧基苄基氯;
2-甲氧基苄氯
英文别名:
2-Methoxybenzyl chloride;
1-(chloromethyl)-2-methoxybenzene
精确分子量/精确质量:
156.03400
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:
MFCD00060276
EINECS:
230-312-4
InChI:
InChI=1/C8H9ClO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6H2,1H3

物化性质展开↓

密度:
1.125 g/mL at 25 °C(lit.)
熔点:
28.3-29.8 °C(lit.)
沸点:
122-124 °C26 mm Hg(lit.)
闪点:
210 °F
折射率:
n20/D 1.549(lit.)
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。冷藏温度4ºC。常用氮气保护。

稳定性相关:

常温常压下稳定,对水敏感。避免与不相容材料,湿空气,水接触。与强氧化剂反应。

其它信息:

1.      性状:白色或黄色透明液体

2.      密度(g/mL,25℃):1.125

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):28.3-29.8

5.      沸点(ºC,常压):未确定

6.      沸点(ºC,26mmHg):122-124

7.      折射率(n20/D):1.549

8.      闪点(ºC):98

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(mmHg,217ºC):未确定

12.   饱和蒸气压(kPa,25ºC):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:
R34
安全说明:
S26-S27-S36-S45-S36/37/39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S27:立刻除去所有污染衣物。
S36:穿戴合适的防护服装。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
C: Corrosive;

合成路线查看所有的合成路线

  • 612-16-8

    2-甲氧基苯甲醇

  • ~92%

  • 7035-02-1

    2-甲氧基氯化苄

  • 614-71-1

    o-Ethoxytoluene

  • +

  • 7782-50-5

  • 7035-02-1

    2-甲氧基氯化苄

  • 578-58-5

    2-甲基苯甲醚

  • +

  • 7782-50-5

  • 7035-02-1

    2-甲氧基氯化苄

MSDS 展开↓

Name: 2-Methoxybenzyl chloride Material Safety Data Sheet
Synonym: 2-(Chloromethyl)anisol
CAS: 7035-02-1
Section 1 - Chemical Product   MSDS Name:2-Methoxybenzyl chloride Material Safety Data Sheet
Synonym:2-(Chloromethyl)anisol

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
7035-02-1 2-Methoxybenzyl chloride 230-312-4
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns. Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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. Will burn if involved in a fire.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide. DO NOT USE WATER!

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.

Section 7 - HANDLING and STORAGE
  Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a tightly closed container. Keep refrigerated. (Store below 4C/39F.) Store under nitrogen.

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# 7035-02-1: 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 122 - 124 deg C @26mmHg
Freezing/Melting Point: 28.3 - 29.8 deg C
Autoignition Temperature: Not available.
Flash Point: 98 deg C ( 208.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.125
Molecular Formula: C8H9ClO
Molecular Weight: 156.61

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 7035-02-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Methoxybenzyl chloride - 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
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 7035-02-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7035-02-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7035-02-1 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↓

分子结构数据


1、摩尔折射率:42.69

2、摩尔体积(cm3/mol):141.1

3、等张比容(90.2K):339.1

4、表面张力(dyne/cm):33.3

5、介电常数:无可用的

6、极化率(10-24cm3):16.92

7、单一同位素质量:156.034193 Da

8、标称质量:156 Da

9、平均质量:156.6095 Da

计算化学数据


1、   疏水参数计算参考值(XlogP):2.4

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:2

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):9.2

7、   重原子数量:10

8、   表面电荷:0

9、   复杂度:95.3

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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