5-氟-2-甲基苯磺酰氯

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

5-氟-2-甲基苯磺酰氯 基本信息

中文名称:
5-氟-2-甲基苯磺酰氯 
中文别名:
5-氟-2-甲基苯磺酰氯;
5-氟-2-甲基苯-1-磺酰氯 
英文名称:
Benzenesulfonylchloride, 5-fluoro-2-methyl-
英文别名:
5-FLUORO-2-METHYLBENZENESULFONYL CHLORIDE;
5-Fluoro-2-methylbenzene-1-sulfonyl chloride;
2-methyl-5-fluorobenzene sulphonyl chloride;
4-fluoro-toluene-2-sulfonyl chloride;
5-Fluoro-2-methylbenzenesulfonyl chloride;
5-fluoro-2-methyl-benzenesulfonyl chloride;
2-methyl-5-fluorophenylsulfonyl chloride;
5-fluoro-2-methylbenzene-1-sulfonyl chloride;
5-Fluoro-2-methylbenzenesulphonyl chloride;
2-methyl-5-fluorobenzenesulfonyl chloride 
CAS No.:
445-05-6
分 子 式:
C7H6ClFO2S
分 子 量:
208.64
精确分子量:
207.97600
PSA:
42.52000
MDL:
MFCD00052958
EINECS:
000-000-0
BRN:
2643541
InChI:
InChI=1/C7H6ClFO2S/c1-5-2-3-6(9)4-7(5)12(8,10)11/h2-4H,1H3
危险品标志:
C:Corrosive
风险术语:
R34;
安全术语:
S26; S36/37/39; S45;
分子结构式:
SDS:
查看

5-氟-2-甲基苯磺酰氯 制备方法及用途

合成制备方法

暂无

用途

暂无

5-氟-2-甲基苯磺酰氯 物化性质

外观与性状:
透明无色液体
密度:
1.423 g/mL at 25 °C(lit.)
沸点:
62 °C (0.2 mmHg)
闪点:
>230 °F
折射率:
n20/D 1.5355(lit.)
存储条件/存储方法:

储存于密封容器中

稳定性相关:

 

稳定性:避免氧化物、水分、潮湿、碱、酒精、胺。

其它信息:

 

1.       性状: 灰黄色液体

2.       密度(g/mL,25/4):1.423

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):130-132

5.       沸点(ºC,常压):62

6.       沸点(ºC,5.2kPa): 未确定

7.       折射率:n20/D 1.5355(lit.)

8.       闪点(ºF):>230

9.       比旋光度(º): 未确定

10.    自燃点或引燃温度(ºC):>110

11.    蒸气压(kPa,25ºC): 未确定

12.    饱和蒸气压(kPa,60ºC): 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: 反应

5-氟-2-甲基苯磺酰氯 安全信息

包装等级:
II
风险类别:
8
海关代码:
2904909090
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:
S23-S26-S36/37/39-S45
安全标志:
S23:不要吸入蒸汽。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
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;

5-氟-2-甲基苯磺酰氯 毒理性

毒理学数据:

暂无

生态数据:

 

1、对水有危害,勿将材料排入周围环境。

5-氟-2-甲基苯磺酰氯 MSDS

Name: 5-Fluoro-2-methylbenzenesulfonyl chloride 97% Material Safety Data Sheet
Synonym:
CAS: 445-05-6
Section 1 - Chemical Product   MSDS Name:5-Fluoro-2-methylbenzenesulfonyl chloride 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
445-05-6 5-Fluoro-2-methylbenzenesulfonyl chlor 97 unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
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.
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:
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 cool, dry place. Store in a tightly closed container.
Corrosives area.

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# 445-05-6: 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: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 170 - 172 deg C @ 40 mmHg
Freezing/Melting Point: Not available.
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: C7H6ClFO2S
Molecular Weight: 208.5522

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 445-05-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Fluoro-2-methylbenzenesulfonyl 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 LIQUID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3265
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing Group: III
RID/ADR
No information available.

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# 445-05-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 445-05-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 445-05-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

5-氟-2-甲基苯磺酰氯 海关数据

中国海关编码:2904909090

概述:
2904909090 其他烃的磺化、硝化、亚硝化衍生物(不论是否卤化). 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:
HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

5-氟-2-甲基苯磺酰氯 分子结构与计算化学数据

分子结构数据

 

1摩尔折射率:41.43

2、   摩尔体积(cm3/mol):143.5        

3、   等张比容(90.2K):352.1

4、   表面张力(dyne/cm):36.2

5、   介电常数:无此用

6、   偶极距(10-24cm3):无此用

7、   极化率:16.30

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:3

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42.5

7.重原子数量:12

8.表面电荷:0

9.复杂度:247

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

5-氟-2-甲基苯磺酰氯 上游产品

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