二氢基二氯化锡 | 18253-54-8

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机锡
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 中文名称: 二氢基二氯化锡
• 中文别名: 二氯酞菁锡(IV)；二氯酞菁锡；酞菁二氯化锡(IV)；二氯[29H,31H-酞菁(2-)-N29,N30,N31,N32]合锡；氧化锡(IV)；二氯化酞菁锡
• 英文名称: phthalocyanine tin(IV) dichloride
• 英文别名: tin(IV) phthalocyanine dichloride；2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;tin(4+);dichloride
• CAS: 18253-54-8
• 化学式: C₃₂H₁₆Cl₂N₈Sn
• 分子量: 702.149
• InChiKey: BBRNKSXHHJRNHK-UHFFFAOYSA-L

物化性质

• 暴露限值：
  ACGIH: TWA 0.1 mg/m3; STEL 0.2 mg/m3 (Skin)NIOSH: IDLH 25 mg/m3; TWA 0.1 mg/m3
• 稳定性/保质期：
  常温常压下稳定，应避免接触水分、潮湿及氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  5.85
• 重原子数：
  43
• 可旋转键数：
  0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• TSCA：
  Yes
• 危险等级：
  6.1
• 危险品标志：
  T
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• 海关编码：
  29310099
• 包装等级：
  III
• 危险类别：
  6.1
• 危险品运输编号：
  UN3146
• 储存条件：
  常温下应密闭避光、保持通风和干燥，并在惰性气体保护下存储。

SDS

Tin(IV) Phthalocyanine Dichloride Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: Tin(IV) Phthalocyanine Dichloride

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Acute toxicity (Oral) Category 3
Category 3
Acute toxicity (Dermal)
Acute toxicity (Inhalation) Category 3
Category 2
Skin corrosion/irritation
Serious eye damage/eye irritation Category 2A
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Danger
Toxic if swallowed, in contact with skin or if inhaled
Hazard statements
Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Avoid breathing dust/fume/gas/mist/vapours/spray.
[Prevention]
Use only outdoors or in a well-ventilated area.
Do not eat, drink or smoke when using this product.
Wash hands thoroughly after handling.
Wear protective gloves and eye/face protection.
[Response] IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
breathing. Call a POISON CENTER or doctor/physician.
IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Rinse
mouth.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Remove/Take off immediately all contaminated clothing.
Wash contaminated clothing before reuse.
Call a POISON CENTER or doctor/physician if you feel unwell.
Tin(IV) Phthalocyanine Dichloride

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Section 2. HAZARDS IDENTIFICATION
[Storage] Store in a well-ventilated place. Keep container tightly closed.
Store locked up.
[Disposal] Dispose of contents/container through a waste management company authorized by
the local government.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: Tin(IV) Phthalocyanine Dichloride
....
Percent:
CAS Number: 18253-54-8
Phthalocyanine Tin(IV) Dichloride
Synonyms:
Chemical Formula: C32H16Cl2N8Sn

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Call a POISON CENTER or doctor/physician.
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. Call a POISON CENTER or doctor/physician.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Immediately call a POISON CENTER or doctor/physician. Rinse mouth.
Ingestion:
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Dry chemical, foam, water spray, carbon dioxide.
Suitable extinguishing
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
When extinguishing fire, be sure to wear personal protective equipment.
Special protective
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep
protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should
emergency procedures: be controlled around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a closed system if possible. Use a local exhaust if dust or aerosol will be
generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Keep container tightly closed. Store in a cool, dark and well-ventilated place.
Storage conditions:
Tin(IV) Phthalocyanine Dichloride

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Section 7. HANDLING AND STORAGE
Store under inert gas.
Protect from moisture.
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Moisture-sensitive
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Install a closed system or local exhaust. Also install safety shower and eye bath.
Engineering controls:
Exposure limits:
0.1 mg(Sn)/m3 (skin)
ACGIH TLV(TWA):
0.2 mg(Sn)/m3 (skin)
ACGIH TLV(STEL):
0.1 mg(Sn)/m3
OSHA PEL(TWA):
Personal protective equipment
Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator,
etc. Use respirators approved under appropriate government standards and follow
local and national regulations.
Hand protection: Impervious gloves.
Safety goggles. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Crystal- Powder
Form:
Colour: Deep blue - Deep purple
No data available
Odour:
pH: No data available
Melting point/freezing point:No data available
Boiling point/range: No data available
No data available
Flash point:
Flammability or explosive
limits:
Lower: No data available
No data available
Upper:
Relative density: No data available
Solubility(ies):
[Water] Insoluble
No data available
[Other solvents]

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen chloride
products:

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Section 11. TOXICOLOGICAL INFORMATION
No data available
Acute Toxicity:
Skin corrosion/irritation: No data available
No data available
Serious eye
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
No data available
IARC =
NTP = No data available
Tin(IV) Phthalocyanine Dichloride

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Section 11. TOXICOLOGICAL INFORMATION
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobility in soil
Log Pow: No data available
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: 6.1: Toxic substance.
UN-No: 3146
Proper shipping name: Organotin compound, solid, n.o.s.
Packing group: III
Marine pollutant Y

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  ——	diiodo(phthalocyaninato-κ(4))tin(IV)	12102-35-1	C32H16I2N8Sn	885.052

反应信息

• 作为反应物：
  描述：

  二氢基二氯化锡 在 tin(ll) chloride 作用下， 以 吡啶 为溶剂， 生成
  参考文献：
  名称：

  Photoreduction of tin(IV) phthalocyanines

  摘要：

  Photolysis of Sn(IV)Pc(OH)2 (Pc = phthalocyanine dianion) and Sn(IV)PC(Cl)2 using a tungsten lamp, and in the presence of SnCl2 . 2H2O as an electron donor result in the reduction of these complexes to pi anion radical species. The reduction shows second order dependence on the concentration of the Sn(IV)Pc complexes and a first order dependence on SnCl2.H2O.

  DOI：

  10.1016/s0277-5387(00)83491-9
• 作为产物：
  描述：

  1,2-二氰基苯 、 tin(ll) chloride 以 further solvent(s) 为溶剂， 以96%的产率得到二氢基二氯化锡
  参考文献：
  名称：

  Cofacial assembly of partially oxidized metallamacrocycles as an approach to controlling lattice architecture in low-dimensional molecular solids. Chemical and architectural properties of the "face-to-face" polymers [M(phthalocyaninato)O]n, where M = Si, Ge, and Sn

  摘要：

  DOI：

  10.1021/ja00344a022

文献信息

• Synthesis and properties of a new kind of one-dimensional conductor VIII. Synthesis and characterization of trans-bis-1-alkynyl substituted silicon, germanium, tin phthalocyanines and germanium hemiporphyrazines
  作者：Michael Hanack、Konrad Mitulla、Georg Pawlowski、L.R. Subramanian

  DOI：10.1016/s0022-328x(00)80500-8

  日期：1981.1

  The preparation of several new trans-bis-1-alkynyl(phthalocyaninato)silicon (VIc—f), -germanium (VIIc—f) and -tin (VIIId, f) compounds as well as trans-bis-1-alkynyl(hemiporphyrazinato)germanium (XIc, e, f) derivatives is described. The products were obtained in high yields by treating the corresponding dichlorides (I, II, IV, X; X = (Cl) with 1-alkynyl Grignard reagents (Vc—f) in tetrahydrofuran (THF)

  几种新的反式-双-1-炔基（邻苯二甲酰基萘）硅（VIc-f），-锗（VIIc-f）和-锡（VIIId，f）化合物以及反-双--1--1-炔基（hemiporphyrazinato）的制备描述了锗（XIc，e，f）衍生物。通过在四氢呋喃（THF）中用1-炔基格氏试剂（Vc-f）处理相应的二氯化物（I，II，IV，X; X =（Cl）），以高收率获得产物，并进行光谱表征。被认为是一种新型一维导体的模型。
• フタロシアニン顔料、着色組成物およびカラーフィルタ
  申请人：東洋インキＳＣホールディングス株式会社

  公开号：JP2017160370A

  公开（公告）日：2017-09-14

  【課題】堅牢性（耐熱性、耐光性、耐溶剤性）に優れ、カラーフィルタ等に使用した際に、色特性（明度）とコントラスト比とに優れ、２３０℃を越える高温の環境下においても分子同士の会合や凝集等による異物発生のないフタロシアニン顔料を提供する。【解決手段】一般式（１）等で表される特定構造を有するフタロシアニン顔料、及び該フタロシアニン顔料を用いた着色組成物並びにカラーフィルタ。【選択図】なし

  提供在高温环境下具有优异耐热性、耐光性和耐溶剂性的酞菁颜料，当用于彩色滤光片等时，具有优异的色彩特性（亮度）和对比度比，且在高于230℃的环境中，不存在由于分子聚集或凝聚等引起的异物生成的酞菁颜料。具体结构由通式（1）等表示的酞菁颜料，以及使用该酞菁颜料的着色组合物和彩色滤光片。
• Crystalline salts of metal phthalocyanine radical anions [M(Pc˙³⁻)]˙⁻ (M = Cu^II, Pb^II, V^IVO, Sn^IVCl₂) with cryptand(Na⁺) cations: structure, optical and magnetic properties
  作者：Dmitri V. Konarev、Maxim A. Faraonov、Alexey V. Kuzmin、Salavat S. Khasanov、Yoshiaki Nakano、Semen I. Norko、Mikhail S. Batov、Akihiro Otsuka、Hideki Yamochi、Gunzi Saito、Rimma N. Lyubovskaya

  DOI：10.1039/c7nj00530j

  日期：——

  formed in salts 4 and 5, which are parallel to the ac plane and have an effective π–π interaction between the Pc˙3− macrocycles. The using of smaller cryptand[2,2,1](Na+) cations in 5, instead of larger cryptand[2,2,2](Na+) cations in 4, allows one to obtain more closely packed Pc layers. Reduction in the salts was centered on the Pc macrocycles, providing alternation of the C–N (imine) bonds in Pc due

  的金属酞菁自由基阴离子盐穴状配体- [2,2,2]（钠+）} [M（PC 3- ）]˙ - ·C 6 H ^ 4氯2（M =铜II（1），铅II（2），V IV O（3）和Sn IV氯2（4））和穴状配体[2,2,1]（钠+）} [Sn的IV氯2（PC 3- ）]˙ - ·C 6 H 4 Cl 2（5已获得单晶。酞菁平面形成通道以容纳1-3中的cryptand [2,2,2]（Na +）阳离子和溶剂C 6 H 4 Cl 2分子。在盐4和5中形成几乎方形的酞菁层，它们与ac平面平行，并且在PC 3-大环之间具有有效的π-π相互作用。在使用更小的穴状配体的[2,2,1]（钠+）阳离子5，而不是较大的穴状配体- [2,2,2]（钠+）阳离子4允许一个人获得更紧密堆积的PC层。盐的还原集中在PC大环上，由于芳香度的部分损失，使得PC中的C–N（亚胺）键交替出现。在946-1006 nm的NIR
• Reaction of tin(<scp>iv</scp>) phthalocyanine dichloride with decamethylmetallocenes (M = Cr^II and Co^II). Strong magnetic coupling of spins in (Cp*₂Co⁺){Sn^IVCl₂(Pc˙³⁻)}˙⁻·2C₆H₄Cl₂
  作者：Dmitri V. Konarev、Sergey I. Troyanov、Alexander F. Shestakov、Evgeniya I. Yudanova、Akihiro Otsuka、Hideki Yamochi、Hiroshi Kitagawa、Rimma N. Lyubovskaya

  DOI：10.1039/c7dt03807k

  日期：——

  Pc˙3− macrocycles. These macrocycles form closely packed double stacks in 1 with effective π–π interactions providing strong antiferromagnetic coupling of spins at a Weiss temperature of −80 K. Decamethylchromocene initially also reduces SnIVCl2(Pc2−) to form the [(Cp*2Cr+)SnVICl2(Pc˙3−)}˙− complex but further reaction between the ions is observed. This reaction is accompanied by the substitution of

  研究了锡（IV）酞菁二氯化物Sn IV Cl 2（PC 2−）}与十甲基金属茂（CP * 2 M，M = Co，Cr）的反应。Decamethylcobaltocene降低Sn的IV氯2（PC 2-），以形成（CP * 2钴+）Sn的IV氯2（PC 3- ）}˙ - ·2C 6 H ^ 4氯2（1）复合物。负电荷的Sn的IV氯2（PC 3- ）}˙ -在PC大环上是非定域的，从而提供了C–N（亚胺）键的交替，在NIR范围内出现了新的谱带以及1光谱中的Soret和Q谱带都发生了强烈的蓝移。的磁矩1等于1.68 μ乙在300 K，指示一个的贡献小号= 1/2自旋PC的3-大环化合物。这些大环形成紧密堆积的双叠层在1与有效的π-π相互作用在-80 K. Decamethylchromocene的魏斯温度最初也降低的Sn提供自旋的强反铁磁性耦合IV氯2（PC 2-），以形成[（CP *2的Cr
• Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States
  作者：Dmitri V. Konarev、Alexey V. Kuzmin、Yoshiaki Nakano、Maxim A. Faraonov、Salavat S. Khasanov、Akihiro Otsuka、Hideki Yamochi、Gunzi Saito、Rimma N. Lyubovskaya

  DOI：10.1021/acs.inorgchem.5b01906

  日期：2016.2.15

  6 K was realized between the CpMoI(CO)2 and the [SnIIPc(3−)]•– units in 6 and the π-stacking Fe(CO)4[SnIIPc(3−)]•–}2 dimers of 5, respectively. The [SnIIPc(3−)]•– radical anions substituted the chloride anions in Ph5CpRu(CO)2Cl to form the formally neutral compound Ph5CpRuII(CO)2[SnIIPc(3−)]} (8) in which the negative charge and spin are preserved on [SnIIPc(3−)]•–. The strong antiferromagnetic coupling

  锡原子与过渡金属形成稳定的Sn-M键的能力用于制备中性，单阴离子和双阴离子状态的与酞菁锡（II）的过渡金属配合物。这些络合物是通过[Sn IV Cl 2 Pc（3-）] •或[Sn II Pc（3-）] •自由基阴离子与Cp * Mo（CO）2 } 2，CpFe（ CO）2 } 2，CpMo（CO）3 } 2，Fe 3（CO）12，Cp * RhCl 2 } 2或Ph 5 CpRu（CO）2Cl。Cp * MoBr（CO）2 [Sn II Pc（2-）]·0.5C 6 H 4 Cl 2（1）和CpFe（CO）2 [Sn II Pc（2-）]·2C 6的中性配位化合物H 4 Cl 2（2）从[Sn IV Cl 2 Pc（3-）] •–中获得。另一方面，过渡金属与[Sn II Pc（3-）] •的配位得到阴离子配位配合物，从而保持了[Sn II Pc（3-）] •上的自旋。。但是，在cryptand

表征谱图