2,3-萘醛花青苷 | 23627-89-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 中文名称: 2,3-萘醛花青苷
• 英文名称: naphthalocyanine
• 英文别名: 2,15,28,41,53,54,55,56-Octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40(54),42(53),43,45,47,49,51-heptacosaene；2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40(54),42(53),43,45,47,49,51-heptacosaene
• CAS: 23627-89-6
• 化学式: C₄₈H₂₆N₈
• 分子量: 714.788
• InChiKey: LKKPNUDVOYAOBB-UHFFFAOYSA-N

物化性质

• 密度：
  1.506±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  避免氧化剂：

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  56
• 可旋转键数：
  0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 安全说明：
  S22,S24/25
• WGK Germany：
  3
• 储存条件：
  存放于密闭、阴凉干燥处

SDS

---

Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 2,3-Naphthalocyanine
CAS-No. : 23627-89-6

---

Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
This substance is not classified as dangerous according to Directive 67/548/EEC.
Other hazards - none

---

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C48H26N8
Molecular Weight : 714,77 g/mol

---

Section 4. FIRST AID MEASURES
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
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

---

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

---

Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapors, mist or gas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

---

Section 7. HANDLING AND STORAGE
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
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)
no data available

---

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
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
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).

---

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: powder
Colour: dark green
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- 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

---

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
Other decomposition products - no data available

---

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 sensitization
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
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation
May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause 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

---

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

---

Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

---

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

---

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
and is applicable to the product with regard to appropriate safety precautions. It does not represent any

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,3-萘醛花青苷 在 吡啶 、 三溴氧磷 作用下， 以 水 为溶剂， 反应 3.0h， 以64%的产率得到
  参考文献：
  名称：

  蛍光標識剤、光線力学治療剤およびフタロシアニン

  摘要：

  在800纳米以上的波长范围内，提供具有适用于荧光标记剂和光动力治疗剂的荧光强度、耐光性和优良一重态氧发生能力的邻苯二酰亚胺类化合物的特性。通过在下述式中表示的磷化合物的磷原子上配位邻苯二酰亚胺类化合物而得到的含磷邻苯二酰亚胺类化合物的盐，以及含有该含磷邻苯二酰亚胺类化合物盐的荧光标记剂和光动力治疗剂。R5O-P-OR6（R5和R6是H、脂肪族烃基、-P(=O)R7R8、-C(=O)R9、-S(=O)2R10或-SiR11R12R13；R7和R8是H、OH、脂肪族烃基、芳香族烃基、Alkoxy基或Aryloxy基；R9是H、脂肪族烃基或芳香族烃基；R10是OH、脂肪族烃基或芳香族烃基；R11〜R13是脂肪族烃基或芳香族烃基。）【选择图】无

  公开号：

  JP2021063036A
• 作为产物：
  描述：

  2,3-萘二甲酰亚胺 在 对甲苯磺酸 、 六甲基二硅氮烷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 以29%的产率得到2,3-萘醛花青苷
  参考文献：
  名称：

  Novel Synthesis of Metal-Free Phthalocyanines from Phthalimides and Phthalic Anhydrides with Hexamethyldisilazane

  摘要：

  在温和条件下，由未取代和取代的邻苯二甲酰亚胺、邻苯二甲酸酐和萘二甲酰亚胺与六甲基二硅氮烷一起加热，合成了无金属酞菁及其外围取代的衍生物。

  DOI：

  10.1055/s-2003-41484

文献信息

• METHOD OF PROVING AUTHENTICITY, SIGNAL CONVERSION METHOD, POLYMER WELDING METHOD, METHOD OF PRODUCING LITHOGRAPHIC PRINTING PLATE, INK FOR PRINTING, TONER, AND HEAT RAY-SHIELDING MATERIAL, EACH USING NAPHTHALOCYANINE COMPOUND, AND METHOD OF PRODUCING NAPHTHALOCYANINE COMPOUND
  申请人：Kimura Keizo

  公开号：US20110311911A1

  公开（公告）日：2011-12-22

  Disclosed is a method of proving the authenticity of goods or a support comprising using a compound represented by Formula (I). wherein, in Formula (I), each of R 11 to R 46 independently represents a hydrogen atom or a substituent group, wherein when a benzene ring is substituted with any of R 11 to R 46 , any groups adjacent to each other among R 11 to R 46 may be bonded each other to form a ring; M represents a hydrogen atom, a metal ion, or a group containing a metal ion; and n represents 1 or 2. The infrared absorption efficiency is high and the deterioration in infrared absorption over time is ameliorated. The infrared absorption efficiency is high and the deterioration in infrared absorption over time is ameliorated.

  公开了一种证明商品真实性或使用包含以式（I）表示的化合物的支持的方法。在式（I）中，R11到R46中的每一个独立地表示氢原子或取代基团，其中当苯环用任何R11到R46中的任何基团取代时，R11到R46中相邻的任何基团可以彼此键合以形成环；M表示氢原子、金属离子或含金属离子的基团；n表示1或2。红外吸收效率高，随时间的推移，红外吸收的恶化得到改善。
• Linkage Effect in the Heterogenization of Cobalt Complexes by Doped Graphene for Electrocatalytic CO ₂ Reduction
  作者：Jiong Wang、Xiang Huang、Shibo Xi、Jong‐Min Lee、Cheng Wang、Yonghua Du、Xin Wang

  DOI：10.1002/anie.201906475

  日期：2019.9.16

  doped graphene resulted in a heterogeneous molecular Co electrocatalyst that was active and selective to reduce CO2 into CO in aqueous solution. A systematic study revealed that graphitic sulfoxide and carboxyl dopants of graphene were the efficient binding sites for the immobilization of NapCo through axial coordination and resulted in active Co sites for CO2 reduction. Compared to carboxyl dopants

  将平面CoII -2,3-萘酞菁（NapCo）络合物固定在掺杂的石墨烯上产生了一种异质的分子Co电催化剂，该催化剂具有活性，并且具有选择性，可以将水溶液中的CO2还原为CO。一项系统研究表明，石墨亚砜和石墨烯的羧基掺杂剂是通过轴向配位固定NapCo的有效结合位点，并产生了活性的CO还原位点。与羧基掺杂剂相比，亚砜掺杂剂进一步改善了NapCo和石墨烯之间的电子连通性，这导致Co位置的翻转频率提高了约3倍，而法拉第效率高达97％。
• プラスチック用緑色顔料、それを用いた着色組成物および成形品
  申请人：東洋インキＳＣホールディングス株式会社

  公开号：JP2020180180A

  公开（公告）日：2020-11-05

  【課題】 優れた耐熱性、優れた耐マイグレーション性、および環境衛生性を全て備えたハロゲンフリーのプラスチック用緑色顔料、それを用いた緑色着色組成物、およびプラスチック成形品を提供すること。【解決手段】上記課題は、一般式（１）で示されるナフタロシアニン化合物を必須成分とするプラスチック用緑色顔料により解決される。また、一般式（１）で示されるナフタロシアニン化合物を用いた着色組成物および成形品により解決される。【選択図】なし

  【问题】提供具有卓越耐高温性、卓越耐迁移性和环境卫生性的无卤塑料用绿色颜料，使用该颜料的绿色着色组合物和塑料成型品。 【解决方案】以上问题可通过以一般式（1）表示的萘酰氰化合物作为必需成分的塑料用绿色颜料来解决。此外，使用一般式（1）表示的萘酰氰化合物的着色组合物和成型品也可解决该问题。 【选择图】无
• The Synthesis of Metal-Free Phthalocyanines from Phthalonitriles with Hexamethyldisilazane
  作者：Hitoshi Uchida、Hideyuki Yoshiyama、Paidi Yella Reddy、Shuichi Nakamura、Takeshi Toru

  DOI：10.1246/bcsj.77.1401

  日期：2004.7

  Metal-free phthalocyanines were prepared in good yields by heating phthalonitriles with hexamethyldisilazane, (NH4)2SO4, and DMF. Good yields of metal-free phthalocyanines involving peripherally substituted phthalocyanines were attained with a catalytic amount of hexamethyldisilazane. Naphthalocyanine was also prepared. Additional additives were examined to accelerate the formation of the phthalocyanine framework.

  通过加热酞腈与六甲基二硅氮烷、(NH4)2SO4 和 DMF，可以制备出产率良好的无金属酞菁。在使用催化量的六甲基二硅氮烷的情况下，外围取代酞菁的无金属酞菁获得了良好的产率。还制备了萘酞菁。还研究了其他添加剂，以加速酞菁框架的形成。
• Soluble precursors of 2,3-naphthalocyanine and phthalocyanine for use in thin film transistors
  作者：Atsuko Hirao、Taiji Akiyama、Tetsuo Okujima、Hiroko Yamada、Hidemitsu Uno、Yoshimasa Sakai、Shinji Aramaki、Noboru Ono

  DOI：10.1039/b811674a

  日期：——

  Soluble precursors of 2,3-naphthalocyanine (Nc) and phthalocyanine (Pc) were prepared and were converted into insoluble semiconducting thin films of Pc and Nc by heating after fabrication via spin-coating.

  制备了 2,3-萘酞菁（Nc）和酞菁（Pc）的可溶性前体，并通过旋涂法制造后加热转化为 Pc 和 Nc 的不溶性半导体薄膜。