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98-66-8

(4-氯苯磺酸,4-Chlorobenzenesulfonic acid)
4-氯苯磺酸
4-Chlorobenzenesulfonic acid
98-66-8
C6H5O3SCl
192.6201
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:4-氯苯磺酸结构式
4-氯苯磺酸MOL
24860090

名称和标识符

MDL MFCD09750379
InChIKey RJWBTWIBUIGANW-UHFFFAOYSA-N
Inchi 1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)
SMILES C1=C(C=CC(=C1)S(=O)(=O)O)Cl

别名信息

- 中文别名 -

  • 4-氯苯磺酸
  • 对氯苯磺酸
  • 4-氯苯磺酸水合物
  • 對氯苯磺酸
  • 对氯苯磺酸 水合物

- 英文别名 -

  • 4-Chlorobenzenesulfonic acid
  • 4-Chlorobenzensulfonic acid hydrate
  • 4-CHLOROBENZENESULPHONIC ACID
  • p-Chlorobenzenesulfonic acid
  • 4-Chlorobenzenesulfonic Acid Hydrate
  • 4-Chloro-benzenesulfonic acid
  • Benzenesulfonic acid,4-chloro
  • Benzenesulfonic acid,p-chloro
  • EINECS 202-690-0
  • p-Chlorophenylsulfonic acid
  • Benzenesulfonicacid, p-chloro- (6CI,7CI,8CI)
  • Benzene-1-chloro-4-sulfonic acid
  • NSC 9914
  • UNII-5CN6B87IK2
  • D89278
  • VS-12644
  • Q27261838
  • 5CN6B87IK2
  • CS-0016006
  • 4-Chloro Benzene Sulfonic Acid
  • NS00040538
  • MFCD00065342
  • Benzenesulfonic acid, p-chloro-
  • AC-17054
  • Tox21_302072
  • benzene
  • hydrogen sulfite
  • hydrochloride
  • p-chlorobenzene sulfonic acid
  • AKOS002303176
  • CAS-98-66-8
  • P-CHLOROBENZENESULFONIC ACID [MI]
  • BRN 2209486
  • BDBM50325574
  • NCGC00255723-01
  • NCI60_000700
  • 4-Chlorobenzenesulphonic acid
  • DTXCID5024473
  • 4-CHLOROBENZENESULFONIC ACID
  • F3099-6892
  • SCHEMBL26836
  • 4-11-00-00107 (Beilstein Handbook Reference)
  • Benzenesulfonic acid, 4-chloro-
  • InChI=1/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10
  • 98-66-8
  • AM101771
  • DTXSID7044473
  • A845891
  • 4-chlorobenzene-1-sulfonic acid
  • 4-Chlorobenzenesulfonic acid, technical grade, 90%
  • FT-0631511
  • CHEMBL1224628
  • AI3-50012
  • 4-CHLOROBENZENE SULFONIC ACID
  • 4-Chlorobenzenesulfonicacid

物化性质

实验特性

LogP 2.66750
PSA 62.75000
Merck 2122
水溶性 very faint turbidity
沸点 149 °C/22 mmHg(lit.)
熔点 102 ºC
闪点 108 C
颜色与性状 针状结晶。
稳定性 Stable. Incompatible with strong oxidizing agents.
溶解性 溶于水和乙醇。
密度 1.449 (estimate)

计算特性

精确分子量 191.96500
氢键供体数量 1
氢键受体数量 3
可旋转化学键数量 1
同位素质量 191.964792
重原子数量 11
复杂度 211
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 0.6
表面电荷 0
拓扑分子极性表面积 54.4

国际标准相关数据

EINECS 202-690-0

海关数据

海关编码 2904909090
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

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%

相关文献

专业数据库参考

PubChemId 24860090

参考资料

Reaxys RN 2209486
Beilstein 11(3)89

4-氯苯磺酸 MSDS

基础信息

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

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