N-丁基-2,2'-亚氨基-双(8-羟基喹啉) | 82361-90-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-丁基-2,2'-亚氨基-双(8-羟基喹啉)
• 中文别名: N-丁基-2,2'-亚氨基二（8-喹啉醇）
• 英文名称: N-butyl-2,2-imino-bis(8-hydroxyquinoline)
• 英文别名: Ni(mbhq)；2,2'-(butylamino)-bis-8-quinolinol；8-Quinolinol, 2,2'-(butylimino)bis-；2-[butyl-(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol
• CAS: 82361-90-8
• 化学式: C₂₂H₂₁N₃O₂
• 分子量: 359.428
• InChiKey: AWKZSNHJRJMXCN-UHFFFAOYSA-N

物化性质

• 熔点：
  93-96 °C
• 沸点：
  619.9±50.0 °C(Predicted)
• 密度：
  1.306±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  69.5
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
: N-Butyl-2,2′-imino-di(8-quinolinol)
Product name
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 82361-90-8

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SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Skin irritation (Category 2), H315
Eye irritation (Category 2), H319
Specific target organ toxicity - single exposure (Category 3), H335
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xi Irritant R36/37/38
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.
Precautionary statement(s)
Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
: N-Butyl-2,2′-imino-bis(8-hydroxyquinoline)
Synonyms
Formula : C22H21N3O2 C22H21N3O2
Molecular Weight : 359,42 g/mol
CAS-No. : 82361-90-8
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
N-Butyl-2,2'-imino-di(8-quinolinol)
CAS-No. 82361-90-8 Skin Irrit. 2; Eye Irrit. 2; STOT <= 100 %
SE 3; H315, H319, H335
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
N-Butyl-2,2'-imino-di(8-quinolinol)
CAS-No. 82361-90-8 Xi, R36/37/38 <= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Full contact
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
test method: EN374
If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
contact the supplier of the CE approved gloves. This recommendation is advisory only and must
be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
anticipated use by our customers. It should not be construed as offering an approval for any
specific use scenario.
Body Protection
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: crystalline
Colour: light yellow
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 93 - 96 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N-丁基-2,2'-亚氨基-双(8-羟基喹啉) 、 zinc(II) acetate dihydrate 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以73%的产率得到[Co(babhq)]
  参考文献：
  名称：

  METHOD FOR PRODUCING LINEAR AND/OR CYCLIC CARBONATE ESTERS

  摘要：

  本发明涉及一种生产线性和/或环状碳酸酯的方法，包括在催化剂存在下将环氧化物与二氧化碳反应的步骤。该发明还涉及使用特殊催化剂来使环氧化物与二氧化碳反应，特殊催化剂和特殊反应产物。该催化剂包括金属M或M-A与配体L的复合物，金属M以>=0的氧化态存在，A代表卤素、羧酸盐、酚酚盐、磺酸盐、膦酸盐、烷基、烷氧基或氨基，配体L具有下述结构(Ia)或(Ib)，其中(Ia)和/或(Ib)中显示的一个或两个OH基团也可以被去质子化。

  公开号：

  US20150203467A1

文献信息

• NOVEL POLYQUINOLINE DERIVATIVES AND THERAPEUTIC USE THEREOF
  申请人：Deraeve Céline

  公开号：US20090227626A1

  公开（公告）日：2009-09-10

  The invention relates to compounds of general formula (I), to the process for the preparation thereof and to the use thereof as a therapeutic agent.

  该发明涉及一般式（I）的化合物，其制备方法以及将其用作治疗剂的用途。
• 8-HYDROXY QUINOLINE DERIVATIVES
  申请人：PRANA BIOTECHNOLOGY LIMITED

  公开号：US20150094334A1

  公开（公告）日：2015-04-02

  The present invention describes a method for the treatment of a neurological condition in a subject which comprises administering to a subject in need thereof a therapeutically effect amount of a compound of the formula or pharmaceutically acceptable salts, hydrates, or solvates thereof.

  本发明描述了一种治疗受试者神经疾病的方法，包括向需要治疗的受试者施用公式中的化合物或其药学上可接受的盐、水合物或溶剂化物的治疗有效量。
• 8-Hydroxy quinoline derivatives
  申请人：Barnham Kevin Jeffrey

  公开号：US20080161353A1

  公开（公告）日：2008-07-03

  The present invention describes a method for the treatment of a neurological condition in a subject which comprises administering to a subject in need thereof a therapeutically effect amount of a compound of the formula or pharmaceutically acceptable salts, hydrates, or solvates thereof.

  本发明描述了一种治疗主体神经系统疾病的方法，该方法包括向需要治疗的主体中给予一定治疗效果的化合物，该化合物的化学式如下，或其药学上可接受的盐、水合物或溶剂化物。
• NOVEL POLYQUINOLINE DERIVATIVES AND THE THERAPEUTIC USE THEREOF
  申请人：DERAEVE Céline

  公开号：US20120277265A1

  公开（公告）日：2012-11-01

  The invention relates to a method for chelating metal ion and/or dissolving amyloid aggregates, including chelating metal ions and/or dissolving amyloid aggregates with a compound of formula (I):

  该发明涉及一种螯合金属离子和/或溶解淀粉样聚集体的方法，包括使用式(I)的化合物螯合金属离子和/或溶解淀粉样聚集体：
• Elektrolumineszierende Anordnungen mit N-Alkyl-2,2'-imino-bis-(8-hydroxychinolin)-Metallkomplexen
  申请人：Bayer Aktiengesellschaft

  公开号：EP0964459A2

  公开（公告）日：1999-12-15

  Elektrolumineszierende Anordnung, aufgebaut aus einem Substrat, einer Anode, einem elektrolumineszierenden Element und einer Kathode, wobei wenigstens eine der beiden Elektroden im sichtbaren Spektralbereich transparent ist und das elektrolumineszierende Element eine oder mehrere Zonen aus der Gruppe der lochinjizierenden Zone, lochtransportierende Zone, elektrolumineszierenden Zone, elektronentransportierenden Zone und elektroneninjizierenden Zone in der genannten Reihenfolge enthält, wobei jede der vorhandenen Zonen auch Aufgaben der anderen genannten Zonen übernehmen kann, dadurch gekennzeichnet, daß das elektrolumineszierende Element einen N-Alkyl-2,2'-imino-bis-(8-hydroxychinolin)-Metallkomplex enthält.

  一种电致发光装置，由基板、阳极、电致发光元件和阴极组成，其中两个电极中至少有一个在可见光谱范围内是透明的，电致发光元件包含一个或多个区，这些区按所述顺序从空穴注入区、空穴传输区、电子传输区和电子注入区组成的组中选出，其中存在的每个区还可以承担所述其他区的任务、按上述顺序排列的电致发光区、电子传输区和电子注入区，其中存在的每个区还可承担上述其他区的功能，其特征在于电致发光元件包含 N-烷基-2,2'-亚氨基-双（8-羟基喹啉）金属络合物。