pyridine-2,6-dicarbothioamide | 5393-24-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: pyridine-2,6-dicarbothioamide
• 英文别名: pyridine-2,6-di(thioamide)；pyridine-2,6-dicarbothioic acid diamide；2,6-Pyridinedicarbothioamide
• CAS: 5393-24-8
• 化学式: C₇H₇N₃S₂
• 分子量: 197.285
• InChiKey: GTGKXQDPPFSLQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 2,6-PYRIDINEDITHIOCARBOXAMIDE
CAS-No. : 5393-24-8
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Acute toxicity, Oral (Category 4)
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H302 Harmful if swallowed.
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 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
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R22 Harmful if swallowed.
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C7H7N3S2
Molecular Weight : 197,28 g/mol
Component Concentration
2,6-PYRIDINEDITHIOCARBOXAMIDE
CAS-No. 5393-24-8 -

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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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIRE-FIGHTING 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), Sulphur oxides
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 vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
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.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

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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.
Body Protection
Complete suit protecting against chemicals, 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).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation 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- log Pow: 0,42
octanol/water
p) Autoignition 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
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Inhalation: Irritating to respiratory system.
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
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
Specific target organ toxicity - single exposure
May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion Harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Additional Information
RTECS: Not available

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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
no data available
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. 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
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-金刚烷基溴甲酮 、 pyridine-2,6-dicarbothioamide 以 乙醇 为溶剂， 反应 6.0h， 以78%的产率得到2,6-bis[4-adamantyl-1,3-thiazol-2-yl]pyridine
  参考文献：
  名称：

  铬，铁，钴和镍的Thio-Pybox和Thio-Phebox配合物及其在乙烯和丁二烯聚合催化中的应用† ‡

  摘要：

  一系列的双（噻唑啉基）-和 双（噻唑基）吡啶制备了硫-Pybox配体及其铬（III），铁（II），钴（II）和镍（II）的金属配合物，以及含单阴离子双（噻唑啉基）苯基硫代铁的镍（II）配合物。 -Phebox配体。这些新的金属络合物已被表征，并与助催化剂MAO一起用作催化剂，用于乙烯的聚合和对乙烯的聚合。丁二烯。在乙烯聚合的情况下，Thio-Pybox和Thio-Phebox金属配合物显示出较低的聚合活性，与相同金属的相关双（亚氨基）吡啶配合物相比要低得多。在聚合丁二烯，几种Thio-Pybox钴（II）配合物显示出很高的活性，远高于具有相同配体的其他金属配合物。对丁二烯聚合反应的催化活性影响最大的是金属，而不是配体，这与乙烯的聚合反应不同。双（亚氨基）吡啶 配体为一系列第一行过渡金属提供了高活性的催化剂。

  DOI：

  10.1039/c2dt30324h
• 作为产物：
  描述：

  2,6-吡啶二甲腈 在 硫化氢 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以75%的产率得到pyridine-2,6-dicarbothioamide
  参考文献：
  名称：

  用于超分子配位化学的新型多齿配体：含吡啶基和噻唑基供体单元的配体的双螺旋和三螺旋配位体

  摘要：

  已经制备了四个新的多齿N-供体L 1 -L 4配体，它们包含吡啶基和噻唑基供体单元的组合。基于α-溴乙酰基单元与硫酰胺的反应形成噻唑基环，这些配体的合成是容易且高产率的。的延伸线性序列邻-连接的N-供杂环（4对于L 1，六对于L 2 ;五对于L 3 ;和六个对于L 4）使人想起了众所周知的线性低聚吡啶，尽管这些新的配体更容易制造并且具有显着不同的几何配位性质，因为五元噻唑基环的存在会导致配体主链自然断裂成明显的二齿或七齿域。因此，四齿配体L 1划分为两个双齿结构域，以产生 具有六坐标的第一行过渡金属指示剂（M = Co，Cu，Zn）的双核三螺旋[M 2（L 1）3 ] 4+。六齿配体L 2划分为两个齿状结构域，得到双核双螺旋结构[M 2（L 2）2 ] 4+ 与六配位金属离子（M = Cu，Zn）。在双螺旋[Cu 2（L 3） 2 ] 4+中，五齿配体L 3仅使用其两个末端双齿结合位点，从而导致四配位的Cu（

  DOI：

  10.1039/b007922g

文献信息

• New multidentate ligands for supramolecular coordination chemistry: double and triple helical complexes of ligands containing pyridyl and thiazolyl donor units
  作者：Craig R. Rice、Stefan Wörl、John C. Jeffery、Rowena L. Paul、Michael D. Ward

  DOI：10.1039/b007922g

  日期：——

  Four new multidentate N-donor ligands L1–L4 have been prepared which contain a combination of pyridyl and thiazolyl donor units. The syntheses of these ligands are facile and high-yielding, being based on reaction of an α-bromoacetyl unit with a thioamide to form the thiazolyl ring. The extended linear sequence of ortho-linked N-donor heterocycles (four for L1, six for L2; five for L3; and six for

  已经制备了四个新的多齿N-供体L 1 -L 4配体，它们包含吡啶基和噻唑基供体单元的组合。基于α-溴乙酰基单元与硫酰胺的反应形成噻唑基环，这些配体的合成是容易且高产率的。的延伸线性序列邻-连接的N-供杂环（4对于L 1，六对于L 2 ;五对于L 3 ;和六个对于L 4）使人想起了众所周知的线性低聚吡啶，尽管这些新的配体更容易制造并且具有显着不同的几何配位性质，因为五元噻唑基环的存在会导致配体主链自然断裂成明显的二齿或七齿域。因此，四齿配体L 1划分为两个双齿结构域，以产生 具有六坐标的第一行过渡金属指示剂（M = Co，Cu，Zn）的双核三螺旋[M 2（L 1）3 ] 4+。六齿配体L 2划分为两个齿状结构域，得到双核双螺旋结构[M 2（L 2）2 ] 4+ 与六配位金属离子（M = Cu，Zn）。在双螺旋[Cu 2（L 3） 2 ] 4+中，五齿配体L 3仅使用其两个末端双齿结合位点，从而导致四配位的Cu（
• Chemistry of micrococcin P. Part VII. Dimethyl micrococcinate and some synthetic pyridine–polythiazole carboxylic esters
  作者：R. J. Clark、James Walker

  DOI：10.1039/j39660001354

  日期：——

  Dimethyl micrococcinate is shown to have the molecular formula C24H17N5O5S4 and to consist probably of a pyridine ring and four thiazole rings with two ester functions, a carbonyl group, and an ethyl group. The ultraviolet absorption spectra of dimethyl micrococcinate and of 2,6-bis-(4′-methoxycarbonyl-2′,4-bithiazolyl-2-yl)pyridine show striking similarity in alcoholic and acid solutions.

  显示出微球菌酸二甲酯具有分子式C 24 H 17 N 5 O 5 S 4，并且可能由吡啶环和四个具有两个酯官能团，羰基和乙基的噻唑环组成。微球菌酸二甲酯和2,6-双-（4'-甲氧基羰基-2'，4-bithiazolyl-2-yl）吡啶的紫外吸收光谱在醇溶液和酸溶液中显示出惊人的相似性。
• Near infrared radiation-absorbing composition, near infrared radiation cut-off filter and production method therefor, and camera module and production method therefor
  申请人：FUJIFILM Corporation

  公开号：US10184052B2

  公开（公告）日：2019-01-22

  An object of the present invention is to provide a near infrared radiation-absorbing composition having favorable shielding properties in a near infrared range when used to produce cured films, a near infrared radiation cut-off filter and a production method therefor, and a camera module and a production method therefor. The near infrared radiation-absorbing composition including a copper complex formed by reacting a compound (A) having two or more coordinating atoms that form bonds using unshared electron pairs with a copper component.

  本发明的目的是提供一种在用于生产固化薄膜时在近红外范围内具有良好屏蔽性能的近红外辐射吸收组合物、一种近红外辐射截止滤光片及其生产方法，以及一种相机模组及其生产方法。近红外辐射吸收组合物包括铜络合物，该铜络合物是由具有两个或两个以上配位原子的化合物（A）与铜成分反应形成的，该化合物具有两个或两个以上配位原子，这些配位原子利用未共享电子对形成键。
• Baker, Anthony T.; Singh, Pratibha; Vignevich, Valentina, Australian Journal of Chemistry, 1991, vol. 44, # 8, p. 1041 - 1048
  作者：Baker, Anthony T.、Singh, Pratibha、Vignevich, Valentina

  DOI：——

  日期：——
• NEAR INFRARED RADIATION-ABSORBING COMPOSITION, NEAR INFRARED RADIATION CUT-OFF FILTER AND PRODUCTION METHOD THEREFOR, AND CAMERA MODULE AND PRODUCTION METHOD THEREFOR
  申请人：FUJIFILM Corporation

  公开号：US20160304730A1

  公开（公告）日：2016-10-20

  An object of the present invention is to provide a near infrared radiation-absorbing composition having favorable shielding properties in a near infrared range when used to produce cured films, a near infrared radiation cut-off filter and a production method therefor, and a camera module and a production method therefor. The near infrared radiation-absorbing composition including a copper complex formed by reacting a compound (A) having two or more coordinating atoms that form bonds using unshared electron pairs with a copper component.

表征谱图