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8-羟基-5-喹啉磺酸 | 84-88-8

8-羟基-5-喹啉磺酸
8-Hydroxyquinoline-5-sulfonic acid
84-88-8
C9H7NO4S
225.221181154251
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:8-羟基-5-喹啉磺酸结构式
8-羟基-5-喹啉磺酸MOL
6792
名称和标识符
MDL MFCD00006795
InChIKey LGDFHDKSYGVKDC-UHFFFAOYSA-N
Inchi 1S/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)
SMILES O=S(C1C2C(=NC=CC=2)C(O)=CC=1)(O)=O
BRN 0195247
别名信息
- 中文别名 -
  • 8-羟基-5-喹啉磺酸
  • 8-羟基喹啉-5-磺酸
  • 5-磺酸-8-羟基喹啉
  • 8-羟基喹啉-5-磺酸单水合物
  • 8-羟基喹啉-5-磺酸水合物
  • 8-羟喹啉-5-磺酸
  • 对二甲酚酞
- 英文别名 -
  • 8-Hydroxyquinoline-5-sulfonic acid
  • 4-HYDROXYQUINOLINE-5-SULPHONIC ACID
  • 4(5)-IMIDAZOLECARBOXALDEHYDE HYDROCHLORIDE
  • 4-IODOPYRIDINE
  • 5-Sulfo-8-hydroxyquinoline
  • 8-QUINOLINONE-5-SULFONIC ACID
  • 8-QUINOLINOL-5-SULFONIC ACID
  • 8-HYDROXY-5-QUINOLINESULFONIC ACID
  • 8-HYDROXYQUINOLIN-5-SULFONIC ACID
  • 5-Sulfo-8-quinolinol
  • 5-Sulfooxine
  • 4-HYDROXYQUINOLINE-5-SULFONIC ACID
  • 5-Quinolinesulfonic acid,8-hydroxy
  • 8-Hydroxy-5-quinolinesulfonic acid hydrate
  • 8-Hydroxy-5-sulfoquinoline
  • 8-HYDROXYGUINOLINE-5-SULFONIC ACID
  • 8-hydroxyquinoline sulfonic acid (5)
  • 8-hydroxy-quinoline-5-sulfonic acid
  • 8-HYDROXYQUINOLINE-5-SULFONIC ACID MONOHYDRATE
  • 8-HYDROXYQUINOLINE-5-SULFONIC ACID MONOHYROAT
  • Oxine-5-sulfonic acid
  • Sulfoxine
  • 8-Hydroxyquinoline-5-sulphonic acid
  • 8-Oxyquinoline-5-sulfonic acid
  • HQSA
  • NSC 105877
  • NSC 13139
  • NSC 220049
  • 5-Quinolinesulfonic acid, 8-hydroxy-
  • 8-Hydroxychinolin-5-sulfonsaeure
  • 8-Hydroxyquinoline-5-sulfonate
  • LGDFHDKSYGVKDC-UHFFFAOYSA-N
  • E8Z193G3L2
  • 8-Hydroxyquinoline-5-sulfonicacid
  • NSC-13139
  • 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)
  • W-104100
  • CCG-19815
  • EN300-235642
  • FT-0621542
  • 8-HYDROXYQUINOLINE-5-SULFONIC ACID [WHO-DD]
  • 8-Hydroxyquinoline-5-sulfonic acid, anhydrous
  • BDBM50437328
  • BRN 0195247
  • F0918-1884
  • SCHEMBL114961
  • NSC13139
  • CCRIS 5750
  • UNII-E8Z193G3L2
  • 7,8-Dihydro-6H-quinolino[2,3,4-kl]acridine
  • AKOS001647596
  • H0306
  • 8-HYDROXY-5-QUINOLINESULFONIC ACID [MI]
  • STK396248
  • 5-22-07-00581 (Beilstein Handbook Reference)
  • F11277
  • Cambridge id 5153799
  • AC-12124
  • Q27277021
  • 8-Hydroxyquinoline-5-sulfonic acid, crystalline
  • EINECS 201-570-5
  • LGDFHDKSYGVKDC-UHFFFAOYSA-
  • NCIOpen2_007104
  • 8-Quinolinol-5-sulfonic acid
  • 8-Quinolinone-5-sulfonic Acid
  • 8-Hydroxy-5-quinolinesulfonic acid
  • DTXSID7041542
  • NCGC00248161-01
  • LS-142138
  • A840972
  • 84-88-8
  • 8-hydroxyquinolin-5-sulfonsyre
  • 8 -Hydroxyquinoline-5-sulfonic acid
  • 8-Hydroxyquinoline-5-sulfonic acid monohyroate
  • CHEMBL2407598
  • 8-Hydroxyquinoline-5-sulfonic acid (ACI)
  • 8-Hydroxylquinoline-5-sulfonic acid
物化性质
实验特性
LogP 2.26790
PSA 95.87000
Merck 4844
折射率 1.5364 (estimate)
沸点 432
熔点 311-313°C
颜色与性状 淡黄色针状结晶或结晶性粉末
溶解性 易溶于水,微溶于有机溶剂
密度 1.4899 (rough estimate)
计算特性
精确分子量 225.01000
氢键供体数量 2
氢键受体数量 5
可旋转化学键数量 1
同位素质量 225.009578
重原子数量 15
复杂度 324
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) 1
互变异构体数量 2
表面电荷 0
拓扑分子极性表面积 95.9
国际标准相关数据
EINECS 5750
海关数据
海关编码 29334990
海关数据

中国海关编码:

2933499090

概述:

2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
New Trick for an Old Ligand! The Sensing of Zn(II) Using a Lanthanide Based Ternary Yb(III)-cyclen-8-hydroxyquinoline System As a Dual Emissive Probe for Displacement Assay
Comby, Steve; Tuck, Sarah A.; Truman, Laura K.; Kotova, Oxana; Gunnlaugsson, Thorfinnur, Inorganic Chemistry, 2012, 51(19), 10158-10168

合成路线:1 步

反应条件:
参考文献:
Study on the process of joint production of 8-hydroxyquinoline-5-carbaldehyde and 8-hydroxyquinoline-5-sulphonic acid
Qi, Jiajuan; Li, Shuan; Zhang, Zhenming; Wang, Ting; Zhao, Hongbo, Huagong Shikan, 2013, 27(10), 1-5

合成路线:1 步

反应条件:
参考文献:
Synthesis of 7-(2-carboxy-4-bromobenzeneazo)-8-hydroxyquinoline-5-sulfonic acid and spectrophotometric determination of molybdenum in foods
Yu, Ying; Peng, Shanshan; Huang, Jianfeng, Huaxue Shiji, 1992, 14(6), 337-9

合成路线:1 步

反应条件:
参考文献:
Development of New Cathepsin B Inhibitors: Combining Bioisosteric Replacements and Structure-Based Design To Explore the Structure-Activity Relationships of Nitroxoline Derivatives
Sosic, Izidor; Mirkovic, Bojana; Arenz, Katharina; Stefane, Bogdan; Kos, Janko; et al, Journal of Medicinal Chemistry, 2013, 56(2), 521-533
专业数据库参考
PubChemId 6792
8-羟基-5-喹啉磺酸 MSDS
基础信息
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
产品用途
用作医药中间体
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