4-氯苯磺酸

  • 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
  • 表征图谱

4-氯苯磺酸 基本信息

中文名称:
4-氯苯磺酸 
中文别名:
4-氯苯磺酸;
对氯苯磺酸;
對氯苯磺酸 
英文名称:
Benzenesulfonic acid,4-chloro-
英文别名:
4-Chlorobenzenesulfonic acid;
4-Chlorobenzenesulphonic acid;
4-Chloro-benzenesulfonic acid;
Benzenesulfonic acid,4-chloro;
p-Chlorobenzenesulfonic acid;
EINECS 202-690-0;
p-Chlorophenylsulfonic acid;
Benzenesulfonic acid,p-chloro 
CAS No.:
98-66-8
分 子 式:
C6H5ClO3S
分 子 量:
192.62
精确分子量:
191.96500
PSA:
62.75000
MDL:
MFCD00065342
EINECS:
202-690-0
BRN:
DB5074000
InChI:
InChI=1/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)/p-1
危险品标志:
风险术语:
R22;R34   
安全术语:
S24/25
分子结构式:
SDS:
查看

4-氯苯磺酸 制备方法及用途

制备方法

(1)由对氨基苯磺酸经重氮化、消除而得将对氨基苯磺酸、盐酸加入水中,冷却至20℃以下,滴加亚硝酸钠溶液,反应到终点即得重氮液。另将硫酸铜、氯化钠加入约80℃的水中,待全部溶解后滴加碱性亚硫酸钠溶液。加毕反应20min,冷至室温,静置,将沉淀用倾泻法清洗,加盐酸溶解,冷至0℃以下,滴加上述重氮液,即生成对氯苯磺酸。将反应液升温至80℃,加食盐盐析,过滤可得对氯苯磺酸钠。(2)由氯苯经磺化而得在反应锅内加入98%浓硫酸及10%发烟硫酸,搅拌15min,逐渐加入干燥的氯苯,在95-100℃搅拌反应5h,检查磺化终点。到达终点时反应物酸度不大于70%,能在水中溶解完全。

合成制备方法

(1)由对氨基苯磺酸经重氮化、消除而得将对氨基苯磺酸、盐酸加入水中,冷却至20℃以下,滴加亚硝酸钠溶液,反应到终点即得重氮液。另将硫酸铜、氯化钠加入约80℃的水中,待全部溶解后滴加碱性亚硫酸钠溶液。加毕反应20min,冷至室温,静置,将沉淀用倾泻法清洗,加盐酸溶解,冷至0℃以下,滴加上述重氮液,即生成对氯苯磺酸。将反应液升温至80℃,加食盐盐析,过滤可得对氯苯磺酸钠。(2)由氯苯经磺化而得在反应锅内加入98%浓硫酸及10%发烟硫酸,搅拌15min,逐渐加入干燥的氯苯,在95-100℃搅拌反应5h,检查磺化终点。到达终点时反应物酸度不大于70%,能在水中溶解完全。

用途简介

用作医药、染料中间体。

用途

用作医药、染料中间体。

4-氯苯磺酸 物化性质

外观与性状:
淡灰色晶体
密度:
1.551g/cm3
熔点:
102 °C
沸点:
149 °C22 mm Hg(lit.)
闪点:
108ºC
其它信息:

1.      性状:针状结晶。

2.      密度(g/mL,25℃):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):102

5.      沸点(ºC,常压):未确定

6.      沸点(ºC, 22mmHg):149 

7.      折射率:未确定

8.      闪点(ºC):未确定

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, 40ºC):未确定

12.   饱和蒸气压(kPa, ºC):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:溶于水和乙醇。

4-氯苯磺酸 安全信息

包装等级:
III
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:
R22;R34
安全说明:
S26-S27-S28-S36/37/39-S45-S24/25
RTECS号:
DB5074000
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。
S28:接触皮肤之后,立即使用大量皂液洗涤。
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;

4-氯苯磺酸 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DB5074000
CHEMICAL NAME :
Benzenesulfonic acid, 4-chloro-
CAS REGISTRY NUMBER :
98-66-8
BEILSTEIN REFERENCE NO. :
2209486
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H5-Cl-O3-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 25,501,1977
毒理学数据:

急性毒性:大鼠经口LD50:>500mg /kg;

4-氯苯磺酸 MSDS

Name: 4-Chlorobenzenesulfonic acid (techn) 90% (titr.) Material Safety Data Sheet
Synonym:
CAS: 98-66-8
Section 1 - Chemical Product   MSDS Name:4-Chlorobenzenesulfonic acid (techn) 90% (titr.) Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
98-66-8 4-Chlorobenzenesulfonic acid (techn) 90.0 202-690-0
Hazard Symbols: C
Risk Phrases: 22 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed. Causes burns.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause systemic effects.
Inhalation:
Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema. May cause systemic effects.
Chronic:
Effects may be delayed.

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 immediately. Do NOT allow victim to rub eyes or keep eyes closed.
Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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.
Extinguishing Media:
Use agent most appropriate to extinguish fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use with adequate ventilation. Discard contaminated shoes.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. 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# 98-66-8: 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 minimize contact with skin.
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: Flakes
Color: gray-beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 102 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: C6H5ClO3S
Molecular Weight: 192.62

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Strong 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# 98-66-8: DB5074000 LD50/LC50:
CAS# 98-66-8: Oral, rat: LD50 = >500 mg/kg.
Carcinogenicity:
4-Chlorobenzenesulfonic acid (techn) - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: ALKYLSULPHONIC ACIDS, SOLID
Hazard Class: 8
UN Number: 2585
Packing Group: III
IMO
Shipping Name: ALKYLSULPHONIC ACIDS, SOLID
Hazard Class: 8
UN Number: 2585
Packing Group: III
RID/ADR
Shipping Name: ALKYLSULPHONIC ACIDS, SOLID
Hazard Class: 8
UN Number: 2585
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 22 Harmful if swallowed.
R 34 Causes burns.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 98-66-8: No information available.
Canada
CAS# 98-66-8 is listed on Canada's NDSL List.
CAS# 98-66-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 98-66-8 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

4-氯苯磺酸 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%

4-氯苯磺酸 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:41.92

2、   摩尔体积(cm3/mol):124.1

3、   等张比容(90.2K):337.4

4、   表面张力(dyne/cm):54.5

5、   介电常数:

6、   偶极距(10-24cm3):

7、 极化率:16.62

计算化学数据

1、   疏水参数计算参考值(XlogP):0.6

2、   氢键供体数量:1

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:

6、   拓扑分子极性表面积(TPSA):54.4

7、   重原子数量:11

8、   表面电荷:0

9、   复杂度:211

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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