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9-二氰亚甲基-2,4,7-三硝基芴 | 1172-02-7

中文名称
9-二氰亚甲基-2,4,7-三硝基芴
中文别名
9-二氰基亚甲基-2,4,6-三硝基芴
英文名称
9-dicyanomethylene-2,4,7-trinitrofluorene
英文别名
(2,4,7-trinitro-9H-fluoren-9-ylidene)propanedinitrile;(2,4,7-trinitro-9-fluorenylidene)malononitrile;2,5,7-trinitro-9-dicyanomethylenefluorene;2-(2,4,7-trinitrofluoren-9-ylidene)propanedinitrile
9-二氰亚甲基-2,4,7-三硝基芴化学式
CAS
1172-02-7
化学式
C16H5N5O6
mdl
——
分子量
363.246
InChiKey
POJAQDYLPYBBPG-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    265-267°C
  • 沸点:
    494.68°C (rough estimate)
  • 密度:
    1.4228 (rough estimate)
  • 稳定性/保质期:
    如果按照规格使用和储存,则不会分解,未有已知危险反应。应避免与氧化物接触。

计算性质

  • 辛醇/水分配系数(LogP):
    2.4
  • 重原子数:
    27
  • 可旋转键数:
    0
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    185
  • 氢给体数:
    0
  • 氢受体数:
    8

安全信息

  • 危险品标志:
    Xn
  • 安全说明:
    S22
  • 危险类别码:
    R20/21/22
  • 海关编码:
    2926909090
  • 危险品运输编号:
    UN 3439

SDS

SDS:9b62533ee81056af39bf5b546f0a45be
查看
Name: (2 4 7-Trinitro-9-Fluorenylidene)Malononitrile 98% Material Safety Data Sheet
Synonym: 9-Dicyanomethylene-2,4,7-Trinitrofluorene; (2,4,7-Trinitro-9-fluorenylidene)Propanedinitrile
CAS: 1172-02-7
Section 1 - Chemical Product MSDS Name:(2 4 7-Trinitro-9-Fluorenylidene)Malononitrile 98% Material Safety Data Sheet
Synonym:9-Dicyanomethylene-2,4,7-Trinitrofluorene; (2,4,7-Trinitro-9-fluorenylidene)Propanedinitrile

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1172-02-7 (2,4,7-Trinitro-9-Fluorenylidene)Malon 98% 214-629-5
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. May cause cardiac disturbances. The toxicological properties of this substance have not been fully investigated. May cause central nervous system depression.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May cause cardiac abnormalities. Inhalation at high concentrations may cause CNS depression and asphixiation.
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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1172-02-7: 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-green
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 265.00 - 267.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C16H5N5O6
Molecular Weight: 363.25

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, reducing agents, strong bases, strong acids.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1172-02-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(2,4,7-Trinitro-9-Fluorenylidene)Malononitrile - Not listed by ACGIH, IARC, or NTP.

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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
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# 1172-02-7: No information available.
Canada
CAS# 1172-02-7 is listed on Canada's NDSL List.
CAS# 1172-02-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1172-02-7 is listed on the TSCA inventory.


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
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    9-二氰亚甲基-2,4,7-三硝基芴 在 lithium iodide 作用下, 以 乙腈 为溶剂, 反应 2.0h, 生成
    参考文献:
    名称:
    基于TTF和9-二氰基亚甲基芴衍生物的溶剂化有机电荷转移复合物的晶体生长和表征†
    摘要:
    通过TTF(四硫富瓦烯)与三种9-二氰基亚甲基芴衍生物的反应合成了一系列的1:1有机配合物:9-二氰基亚甲基-2,7-二硝基芴(DDF),9-二氰基亚甲基-2,4,7-三硝基芴( DTF)和9-二氰基亚甲基-4,5,7-三硝基芴-2-羧酸(DC2TF)。通过这些化合物的X射线衍射和元素分析确定了以下公式:(TTF-DDF)·CH 3 CN(1),(TTF-DDF)·0.5PhCl(2),(TTF-DTF)·CH 3 CN(3),(TTF-DTF)·0.5Me 2 CO(4)和(TTF-DC2TF)·H 2 O(5)。还获得了具有不同化学计量比的第六溶剂化化合物(TTF)3(DC2TF)2 ·2CH 3 CN(6)。通过IR和拉曼光谱法估计了1-5中的电荷转移程度。晶格溶剂,乙腈,氯苯或丙酮从配合物1-4的晶体中缓慢释放,导致电荷转移随时间的推移而显着下降。这些晶体经过数月会聚,趋向接近中性
    DOI:
    10.1039/c5ce01059d
  • 作为产物:
    描述:
    2-(2,4,7-trinitro-9H-fluoren-9-ylidene)malononitrile compound with 5,12-diethyl-5,12-dihydrobenzo[4,5]imidazo[1,2-b]benzo[4,5]imidazo[1,2-e][1,2,4,5]tetrazine (1:1) 以 1,2-二氯乙烷 为溶剂, 生成 9-二氰亚甲基-2,4,7-三硝基芴5,12-diethylbis(benzimidazolo)<1,2-b:1',2'-e><1,2,4,5>tetrazine
    参考文献:
    名称:
    Tetrazinodiheteroarene:“电荷转移”-复合体
    摘要:
    替硝嗪二杂芳烃与受体化合物的电荷转移配合物
    DOI:
    10.1002/hlca.19900730108
  • 作为试剂:
    描述:
    2-苯基-2,3-二氢-1H-异吲哚air9-二氰亚甲基-2,4,7-三硝基芴 作用下, 以 吡啶 为溶剂, 反应 5.0h, 以25%的产率得到2-[(3Z)-2-phenyl-3-(2-phenyl-3-phenyliminoisoindol-1-ylidene)isoindol-1-ylidene]propanedinitrile
    参考文献:
    名称:
    (2a7-trinito-9 H-芴-9-亚烷基)-丙腈与N-芳基异吲哚啉的新型反应
    摘要:
    N-芳基异吲哚啉1a-c在吡啶中与(2,4,7-三硝基-9 H-芴-9-亚丙基)丙腈(A)反应,并通过净的α-H原子抽象使空气进入并形成[3] -(2-芳基-3-芳基氨基-2,3-二氢-1 H-异吲哚-1-亚基)-2-芳基-2,3-二氢-1 H-异吲哚-1-亚基]丙腈2a-c,N- [2-芳基-3-(2-芳基-3-芳基氨基-2,3-二氢-1 H-异吲哚基-1-亚烷基)-2,3-二氢-1 H-异吲哚-1-基]亚芳胺3a,b,N,N' -[2-芳基-1 H-异吲哚-1,3(2 H)-亚二芳基]双亚芳胺4a,b和N-芳基邻苯二甲酰亚胺5a-c以中等收率。还发现了2,4,7-三硝基-9-芴酮以及后者和A的一种还原产物,分别是化合物6和7。的结构图2b已经通过X射线晶体结构分析,便能清楚地证实。提供了观察到的转换的原理。这些涉及1a-c的脱氢和氧化偶联,以及N-芳基片段从1a-c转移到中间产物的过程。
    DOI:
    10.1002/jhet.5570350123
点击查看最新优质反应信息

文献信息

  • METAL ORGANIC LIQUID CRYSTAL DYES
    申请人:GAUZY LTD.
    公开号:US20170355908A1
    公开(公告)日:2017-12-14
    A dye composition dissolvable within a liquid crystal host device (including: polymer dispersed liquid crystal, polymer network liquid crystal, polymer stabilized liquid crystal, liquid crystal displays and similar devices), comprising eutectic mixtures of dichroic metallomesogen molecules. The aforesaid metallomesogen molecules comprise chromophore groups synthesized by physical and chemical mixing methods.
    一种可在液晶主机装置内溶解的染料组合物(包括:聚合物分散液晶、聚合物网络液晶、聚合物稳定液晶、液晶显示器和类似装置),包括二色性金属介晶分子的共晶混合物。上述金属介晶分子包括通过物理和化学混合方法合成的色团基团。
  • Electron acceptors of the fluorene series. Part 5. Intramolecular charge transfer in nitro-substituted 9-(aminomethylene)fluorenes
    作者:Igor F. Perepichka、Anatolii F. Popov、Tatyana V. Orekhova、Martin R. Bryce、Alexander N. Vdovichenko、Andrei S. Batsanov、Leonid M. Goldenberg、Judith A. K. Howard、Nikolai I. Sokolov、Joanne L. Megson
    DOI:10.1039/p29960002453
    日期:——
    Strong intramolecular charge transfer (ICT) in fluorenes 2 and 3 from a donor amino group to acceptor fluorene moiety leads to exceptionally easy rotation around the C(9)(α) bond that has been registered by 1H NMR spectroscopy; single crystal X-ray analysis of 2i confirms the changes in the bond numbers. Cyclic voltammetry (CV) of compounds 2 and 3 shows two closely spaced reversible single-electron reduction waves (in the range of –0.4 V to –1.16 V, E1red½– E2red½⩽ 0.16 V) resulting in radical anions and dianions, respectively, and a third reduction wave [E3red½≈–(1.31 – 1.53) V] resulting in radical trianions. E3red½ shows very little dependence on the structure of compounds 2 and 3, whereas E1red7½ and E2red½ correlate well with σp– constants of substituents in the fluorene ring. At +0.71 V to + 1.55 V a single-electron oxidation wave yielding radical cations of the compounds 2 and 3 is observed in CV. Parameters ρcv– for reduction (E1red½ and E2red½) and oxidation (Eox½) of compounds 2 and 3 are in the region of 0.12 V to 0.20 V. The influence of the structure and solvent effects on the ICT energies have been studied by UV–VIS spectroscopy. It has been found that the ICT energies also correlate well with σp– constants in the fluorene ring; however, in contrast to CV investigations which demonstrated close ρcv– values for both series of the compounds [ρ1red–(2)= 0.195 ± 0.005 V ≈ρ1red–(3) 0.175 ± 0.005 V, in acetonitrile], the sensitivity parameter ρICT–for 2 is approximately twice that for 3 (–0.175 ± 0.008 eV and –0.085 ± 0.008 eV, respectively, in acetonitrile). A quantitative estimation of solvent effects on the ICT energies using the four-parameter Koppel-Palm equation shows that only polarity and basicity of the solvent are statistically relevant in all the cases. Spectroelectrochemical studies on the compound 2i show the disappearance of the ICT band in the visible spectra when the negative potential yielding the radical anion and/or the dianion is applied. An increased electrophotographic sensitivity of poly-N-(2,3-epoxypropyl)carbazole (PEPC) films sensitized by compound 2d has been found in the ICT region; this phenomenon can be used for elaboration of photothermoplastic films with selective regions of the photosensitivity.
    在荧光苊(fluorenes) 2 和 3 中,强内分子电荷转移(ICT)发生在供体氨基团和受体荧光苊部分之间,导致围绕 C(9)(α) 键的旋转异常容易,这一点通过 1H NMR 谱学得到了验证;对 2i 的单晶 X 射线分析证实了键数的变化。化合物 2 和 3 的循环伏安法(CV)显示出两个紧密相邻的可逆单电子还原波(在 -0.4 V 至 -1.16 V 范围内,E1red½– E2red½⩽ 0.16 V),分别导致自由基阴离子和二阴离子的形成,以及一个第三个还原波 [E3red½≈–(1.31 – 1.53) V],导致自由基三阴离子的形成。E3red½ 对化合物 2 和 3 的结构几乎没有依赖性,而 E1red½ 和 E2red½ 与荧光苊环中取代基的 σp– 常数有很好的相关性。在 +0.71 V 到 +1.55 V 的范围内,观察到产生化合物 2 和 3 自由基阳离子的单电子氧化波。化合物 2 和 3 的还原(E1red½ 和 E2red½)与氧化(Eox½)参数 ρcv– 在 0.12 V 至 0.20 V 的范围内。通过 UV–VIS 光谱研究了结构和溶剂效应对 ICT 能量的影响。发现 ICT 能量与荧光苊环中的 σp– 常数也有很好的相关性;然而,与 CV 研究结果相比,后者显示两组化合物具有接近的 ρcv– 值 [ρ1red–(2)= 0.195 ± 0.005 V ≈ ρ1red–(3) 0.175 ± 0.005 V,在乙腈中],而 2 的灵敏度参数 ρICT– 约为 3 的两倍(在乙腈中分别为 -0.175 ± 0.008 eV 和 -0.085 ± 0.008 eV)。用四参数 Koppel-Palm 方程对溶剂效应对 ICT 能量的定量估计表明,只有溶剂的极性和碱性在所有情况下是统计上相关的。对化合物 2i 的光谱电化学研究表明,当施加负电位以产生自由基阴离子和/或二阴离子时,ICT 带在可见光谱中消失。发现用化合物 2d 感光的聚-N-(2,3-环氧丙基)喹喔烯(PEPC)薄膜在 ICT 区域具有提高的电光敏感性;这一现象可以用于开发具有选择性光敏区域的光热塑性薄膜。
  • Reaction of 1,8-diaminonaphthalene with some selected π-acceptors; prospective optically active non-linear cyanovinylated naphthalenes as well as synthesis of novel perimidin and pleiadene derivatives
    作者:Ashraf A Aly、Kamal M El-Shaieb
    DOI:10.1016/j.tet.2004.03.017
    日期:2004.4
    Reactions of 1,8-diaminonaphthalene with some selected π-acceptors are reported herein. The reaction of the 1,8-diaminonaphthalene with 1,1,2,2-tetracyanoethylene (TCNE) and 7,7′,8,8′-tetracyanoquinodimethane (TCNQ), via different modes of cyanovinylation, yielded (2E)-2,3-bis-(8-aminonaphthalen-1-ylamino)-but-2-enedinitrile and 2-[4-(1H,3H-perimidin-2-ylidene)cyclohexa-2,5-dienylidene]malononitrile
    本文报道了1,8-二氨基萘与一些选定的π-受体的反应。1,8-二氨基萘与1,1,2,2-四氰基乙烯(TCNE)和7,7',8,8'-四氰基喹二甲烷(TCNQ)的反应通过氰基乙烯基化的不同方式产生(2 E)- 2,3-双-(8-氨基萘-1-基氨基)-丁-2-烯腈和2- [4-(1 H,3 H -perimidin-2-亚叉基)环己-2,5-二烯叉]丙二腈,分别。在另一个位置上,目标分子与2-二氰基亚甲基茚满-1,3-二酮(CNIND),2-(2,4,7-三硝基-9 H-芴-9-亚烷基)丙烷-二甲腈(DTF)反应)和2,3-二氯-4,5-二氰基(2,3,4,5-四氯)-1,4-苯醌(DDQ和CHL- p)得到了peridimid和pleiadene衍生物。
  • An Efficient Synthesis of Highly Substituted <i>Spiro</i>[Fluorene-9,3′-[1,2,4]Triazoles from the Reaction of <i>N</i><sup>3</sup>-Substituted Amidrazones with (2,4,7-Trinitro-9<i>H</i>-Fluoren-9-Ylidene)Propanedinitrile
    作者:Mohsen A.-M. Gomaa、Huda A. Ali
    DOI:10.3184/174751918x15208586440824
    日期:2018.3
    Novel spiro[fluorene-9,3′-[1,2,4]triazoles were obtained in excellent yields from the reaction of N3-substituted benzamidrazones and (2,4,7-trinitro-9H-fluoren- 9-ylidene)propanedinitrile in ethyl acetate solution at ambient temperature. The react ion mechanism is discussed.
    N3-取代的苯甲腙和(2,4,7-三硝基-9H-芴-9-亚基)丙二腈反应以优异的收率获得了新型螺[芴-9,3'-[1,2,4]三唑在室温下在乙酸乙酯溶液中。讨论了反应离子机理。
  • Interactions of metalloporphyrins as donors with the electron acceptors C60, tetracyanoquinomethane (TCNQ) and trinitrofluorenylidenemalonitrile
    作者:Marilyn M. Olmstead、Ana de Bettencourt-Dias、Hon Man Lee、David Pham、Alan L. Balch
    DOI:10.1039/b306714a
    日期:——
    Crystals of C60·PtII(OEP)·2(C6H6), TCNQ·CuII(OEP), TCNQ·H2(OEP), TCNQ·2CuII(OEP), TCNQ·2ZnII(OEP) and TNFM·CoII(OEP) [OEP is the dianion of octaethylporphyrin, TCNQ is 7,7,8,8-tetracyanoquinodimethane, TNFM is (2,4,7-trinitrofluorenylidene)malonitrile] have been obtained by diffusion of a solution of the porphyrin as donor into a solution of the respective acceptor molecule. The structure of C60·PtII(OEP)·2(C6H6) consists of an ordered C60 cage nestled against the platinum porphyrin which makes close face-to-face contact with another PtII(OEP) molecule. In contrast, there are no close face-to-face contacts between porphyrins in the crystal structures of TCNQ·CuII(OEP), TCNQ·H2(OEP), and TNFM·CoII(OEP). These compounds consist of classical donor–acceptor stacks of interleaved porphyrin and TCNQ or TNFM molecules with separations of ca. 3.3 Å between adjacent molecules. However with TCNQ·2CuII(OEP) and TCNQ·2ZnII(OEP) the structures involve TCNQ (A) and MII(OEP) (D) molecules that crystallize in stacks with a DDA(DDA)nDDA arrangement. Within these stacks there are pairwise contacts between MII(OEP) molecules and these pairs are compared to those found in C60·PtII(OEP)·2(C6H6) and related fullerene-containing crystals.
    C60·PtII(OEP)·2(C6H6)、TCNQ·CuII(OEP)、TCNQ·H2(OEP)、TCNQ·2CuII(OEP)、TCNQ·2ZnII(OEP)、TNFM·CoII(OEP)晶体[OEP是八乙基卟啉的二价阴离子,TCNQ 是 7,7,8,8-四氰基醌二甲烷,TNFM 是(2,4,7-三硝基芴亚基)丙二腈]通过将作为供体的卟啉溶液扩散到各自的溶液中而获得受体分子。 C60·PtII(OEP)·2(C6H6) 的结构由一个有序的 C60 笼组成,紧邻铂卟啉,与另一个 PtII(OEP) 分子面对面紧密接触。相比之下,TCNQ·CuII(OEP)、TCNQ·H2(OEP)和TNFM·CoII(OEP)晶体结构中卟啉之间没有紧密的面对面接触。这些化合物由交错的卟啉和 TCNQ 或 TNFM 分子的经典供体-受体堆叠组成,其间隔约为 100 nm。相邻分子之间的距离为 3.3 Å。然而,TCNQ·2CuII(OEP) 和 TCNQ·2ZnII(OEP) 的结构涉及 TCNQ (A) 和 MII(OEP) (D) 以 DDA(DDA)nDDA 排列堆叠结晶的分子。在这些堆叠内,MII(OEP) 分子之间存在成对接触,并将这些对与 C60·PtII(OEP)·2(C6H6) 和相关的含富勒烯晶体中发现的对进行比较。
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