8-羟基喹啉-5-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
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

8-羟基喹啉-5-磺酸 基本信息

中文名称:
8-羟基喹啉-5-磺酸 
中文别名:
8-羟基喹啉-5-磺酸水合物;
8-羟基喹啉-5-磺酸;
5-磺酸-8-羟基喹啉;
8-羟基-5-喹啉磺酸 
英文名称:
5-Quinolinesulfonicacid, 8-hydroxy-
英文别名:
8-Hydroxyquinoline-5-sulfonic acid;
8-hydroxy-quinoline-5-sulfonic acid;
8-Hydroxy-5-quinolinesulfonic acid hydrate;
8-Hydroxy-5-sulfoquinoline;
4-HYDROXYQUINOLINE-5-SULFONIC ACID;
8-hydroxyquinoline sulfonic acid (5);
Oxine-5-sulfonic acid;
8-HYDROXYGUINOLINE-5-SULFONIC ACID;
5-Sulfooxine;
5-Quinolinesulfonic acid,8-hydroxy;
Sulfoxine;
8-HYDROXYQUINOLINE-5-SULFONIC ACID MONOHYDRATE;
5-Sulfo-8-quinolinol;
8-HYDROXYQUINOLINE-5-SULFONICACID;
8-HYDROXYQUINOLINE-5-SULFONIC ACID MONOHYROATE;
8-HYDROXYQUINOLINE-5-SULPHONIC ACID MONOHYDRATE;
8-QUINOLINOL-5-SULFONICACID;
8-HYDROXYQUINOLINE-5-SULFONIC ACID, MONOHYDRATE;
8-Hydroxy-5-quinolinesulfonic acid;
5-Sulfo-8-hydroxyquinoline;
6,10-DIMETHYL-2-UNDECANONE;
8-hydroxyquinolin-5-yl-sulfonic acid;
8-HYDROXYQUINOLINE-5-SULFONICACIDMONOHYDRATE;
8-QUINOLINOL-5-SULFONIC ACID;
8-HYDROXYQUINOLINE-5-SULFONIC ACID MONOHYDRATE FOR SYNTHESIS 
CAS No.:
84-88-8
分 子 式:
C9H7NO4S
分 子 量:
225.22
精确分子量:
225.01000
PSA:
95.87000
MDL:
MFCD00006795
EINECS:
201-570-5
InChI:
InChI=1/C9H7NO4S/c11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7/h1-5,11H,(H,12,13,14)
危险品标志:

HarmfulXnIrritantXi
风险术语:
R22;R36/37/38
安全术语:
S36/37;S45
分子结构式:
SDS:
查看

8-羟基喹啉-5-磺酸 制备方法及用途

制备方法

由8-羟基喹啉磺化而得。将发烟硫酸在搅拌下冷却至10℃以下,逐渐加入8-羟基喹啉,保持温度在15℃以下。加完后升温,在30℃以下搅拌反应5h。放置过夜。次日将反应液放入8-10倍量水中(按8-羟基喹啉计),控制温度60℃,析出结晶,再放置过夜。过滤,洗涤,干燥。

合成制备方法

8-羟基喹啉磺化而得。将发烟硫酸在搅拌下冷却至10以下,逐渐加入8-羟基喹啉,保持温度在15以下。加完后升温,在30以下搅拌反应5h。放置过夜。次日将反应液放入8-10倍量水中(按8-羟基喹啉计),控制温度60,析出结晶,再放置过夜。过滤,洗涤,干燥。

用途简介

有刺激性,用于检定铋、铜、铁、银和钒,测定铋、铜、铁、银、钒和锌。

用途

用作有机合成中间体和分析试剂。

8-羟基喹啉-5-磺酸 物化性质

外观与性状:
白色至灰白色结晶粉末
密度:
1.632 g/cm3
熔点:
311-313°C
沸点:
432ºC
折射率:
1.711
存储条件/存储方法:

本品应密封于阴凉干燥处保存。

其它信息:

1.       性状:淡黄色针状结晶或结晶性粉末

2.       密度(g/mL,25/4):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):213(分解)

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

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(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:易溶于水,微溶于有机溶剂

 

8-羟基喹啉-5-磺酸 安全信息

包装等级:
III
风险类别:
6.1(b)
海关代码:
29334990
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R22;R36
安全说明:
S26-S36
RTECS号:
VC2570000
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。
危险标志:
Xn:Harmful

8-羟基喹啉-5-磺酸 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VC2570000
CHEMICAL NAME :
5-Quinolinesulfonic acid, 8-hydroxy-
CAS REGISTRY NUMBER :
84-88-8
BEILSTEIN REFERENCE NO. :
0195247
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C9-H7-N-O4-S
MOLECULAR WEIGHT :
225.23

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
50 mg/L
REFERENCE :
CUMIDD Current Microbiology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1978- Volume(issue)/page/year: 11,59,1984 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0080 No. of Facilities: 14 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 55 (estimated)
毒理学数据:

1、急性毒性:

小鼠腹腔LD50>800mg/kg

2、  致畸性

沙门氏菌:50 ug/L

8-羟基喹啉-5-磺酸 MSDS

Name: 8-Hydroxyquinoline-5-Sulfonic Acid Monohydrate 98% Material Safety Data Sheet
Synonym: None
CAS: 84-88-8
Section 1 - Chemical Product   MSDS Name:8-Hydroxyquinoline-5-Sulfonic Acid Monohydrate 98% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
84-88-8 8-Hydroxyquinoline-5-Sulfonic Acid Mon 98 201-570-5
Hazard Symbols: XN
Risk Phrases: 40

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Limited evidence of a carcinogenic effect.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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, then place into a suitable 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. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 84-88-8: 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 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: Powder
Color: yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 300 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water: slightly soluble
Specific Gravity/Density:
Molecular Formula: C9H7NO4S.H2O
Molecular Weight: 243.24

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 84-88-8: VC2570000 LD50/LC50:
Not available.
Carcinogenicity:
8-Hydroxyquinoline-5-Sulfonic Acid Monohydrate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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: XN
Risk Phrases:
R 40 Limited evidence of a carcinogenic effect.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 84-88-8: No information available.
Canada
CAS# 84-88-8 is listed on Canada's NDSL List.
CAS# 84-88-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 84-88-8 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

8-羟基喹啉-5-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:53.98

2、   摩尔体积(m3/mol):137.9

3、   等张比容(90.2K):415.9

4、   表面张力(dyne/cm):82.5

5、   极化率10-24cm3):21.40

 

 

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:2

3.氢键受体数量:5

4.可旋转化学键数量:1

5.互变异构体数量:2

6.拓扑分子极性表面积95.9

7.重原子数量:15

8.表面电荷:0

9.复杂度:324

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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