摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

甲苯-2,4-二异氰酸酯 | 584-84-9

中文名称
甲苯-2,4-二异氰酸酯
中文别名
二异酸甲苯酯;2,4-甲苯二异氰酸酯;2,4-二异酸甲苯酯;2,4-TDI;2,4-二异氰酸甲苯酯;甲苯基-2,4-二异氰酸酯;2,4-二异氰酸酯甲苯;甲苯 2,4-二异氰酸酯
英文名称
2,4-Toluene diisocyanate
英文别名
toluylene 2,4-diisocyanate;TDI;toluene diisocyanate;toluene 2,4-diisocyanate;tolylene-2,4-diisocyanate;2,4-diisocyanato-1-methylbenzene;2,4-TDI
甲苯-2,4-二异氰酸酯化学式
CAS
584-84-9;1321-38-6
化学式
C9H6N2O2
mdl
MFCD00002011
分子量
174.159
InChiKey
DVKJHBMWWAPEIU-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:
    20-22 °C(lit.)
  • 沸点:
    124-126 °C18 mm Hg(lit.)
  • 密度:
    1.225 g/mL at 25 °C
  • 蒸气密度:
    6 (vs air)
  • 闪点:
    250 °F
  • 溶解度:
    与乙醚、丙酮、苯、四氯化碳和氯苯混溶。
  • 暴露限值:
    TLV-TWA 0.0355 mg/m3 (0.005 ppm) (ACGIH and NIOSH); STEL or ceiling/10 min 0.142 mg/m3 (0.02 ppm) (ACGIH, NIOSH, and OSHA); IDLH 71 mg/m3 (10 ppm) (NIOSH).
  • LogP:
    3.43 at 22℃
  • 物理描述:
    Toluene-2,4-diisocyanate appears as colorless to yellow or dark liquid or solid with a sweet, fruity, pungent odor. Melting point 68°F (20° C). Evolves CO2 when moist. This can cause over-pressurization in an enclosed space.Toxic and carcinogenic. Used in polyurethane foams, coatings in floor and wood finishes, sealers, paints, concrete sealers for aircraft and tank trucks, elastomers in clay pipe seals, elastomers and coatings, and crosslinking agent for nylon. Rate of onset: Immediate Persistence: Hours - weeks Odor threshold: 0.4 - 2 ppm Source/use/other hazard: Polyurethane (wood coatings, foam), nylon industries; skin irritant.
  • 颜色/状态:
    Colorless to pale yellow, solid or liquid (above 71 °F)
  • 气味:
    Sharp, pungent
  • 蒸汽密度:
    6 (EPA, 1998) (Relative to Air)
  • 蒸汽压力:
    VP: 0.5 mm Hg at 25 °C /80% 2,4:20% 2,6/
  • 稳定性/保质期:

    Darkens on exposure to sunlight.

  • 自燃温度:
    620 °C (1148 °F)
  • 分解:
    When heated to decomposition, it emits highly toxic fumes of ... /nitrogen oxides/.
  • 燃烧热:
    -10300 Btu/lb = -5720 cal/g = -239x10+5 J/kg (est)
  • 表面张力:
    25 dynes/cm = 0.025 N/m at 25 °C (est)
  • 聚合:
    Polymerization: Slow, not hazardous, above 113 °F; Liquid-water interfacial tension: (est) 45 dynes/cm= 0.045 N/m at 25 °C
  • 气味阈值:
    Odor Threshold Low: 0.05 [mmHg]; Odor Threshold High: 2.4 [mmHg]; Odor threshold from CHEMINFO; [ICSC] Odor threshold = 50 ppb with about 1/2 of volunteers detecting and identifying the material at 400 ppb
  • 折光率:
    Index of refraction: 1.5654 at 25 °C/D

计算性质

  • 辛醇/水分配系数(LogP):
    3.9
  • 重原子数:
    13
  • 可旋转键数:
    2
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.111
  • 拓扑面积:
    58.9
  • 氢给体数:
    0
  • 氢受体数:
    4

ADMET

代谢
65%的尿液代谢物是酸性易分解的共轭物。自由态的甲苯二胺(TDA)及其单乙酸和二乙酸生物存在于尿液中。在给药后48小时,(14)C剂量的94%出现在尿液、粪便、组织和胴体中。其中81%在粪便中,8%在尿液中,4%在组织(最高在胃肠道)。...在呼出的空气中的(14)C,可以忽略不计。...甲苯二胺
65 % of quantitated urinary metabolites were acid-labile conjugates. Free /toluene diamine (TDA)/ and its mono - and diaceyl derivatives /were/ present in urine. 94 % of (14)C-dose /was present/ in urine, feces, tissues and carcass 48 hrs after dosing. 81 % in feces, 8 % in urine, 4 % tissues (highest in GI tract). ... /In/expired air (14)C, /was/ negligible. ... /Toluene diamine/
来源:Hazardous Substances Data Bank (HSDB)
代谢
在人体内,甲苯-2,4-二异氰酸酯会代谢成2,4-二氨基甲苯。...
In man, tolylene-2,4-diisocyanate is metab into 2,4-diaminotoluene. ...
来源:Hazardous Substances Data Bank (HSDB)
代谢
吸入甲苯二异氰酸酯主要导致形成酸性不稳定的结合物,几乎没有或没有甲苯二胺形成。
Inhalation exposure to toluene 2,4-diisocyanate results primarily in the formation of acid labile conjugates, with little or no toluene 2,4-diamine being formed.
来源:Hazardous Substances Data Bank (HSDB)
代谢
在试验室里,接触了2,4-TDI2,6-TDI的受试者(5.5 ppb浓度,持续7.5小时)的血浆和尿液中出现了相应的胺类物质,这些物质通过气相色谱-质谱法(GC-MS)在解后得到了鉴定。从血浆中的排出速度很慢。尿液中的排出有一个慢速和快速阶段,后者具有一到两个小时的生物半衰期。两个人接触了3.4-9.7 ppb范围内的三种浓度,持续4小时,空气中的TDI平与血浆中的TDA平之间存在相关性。从血浆中的排出有两个阶段。快速阶段的生物半衰期为两到五小时,慢速阶段则超过六天。
Subjects exposed to 2,4-TDI and 2,6-TDI in a test chamber (5.5 ppb for 7.5 hours) had the corresponding amines in plasma and urine - identified by gas chromatography-mass spectrometry (GC-MS) after hydrolysis. Elimination from plasma was slow. Elimination in urine had a slow and a fast phase, the latter with a biological half time of one to two hours. Two persons were exposed to three concentrations in the range 3.4-9.7 ppb for 4 hours, and there was a correlation between TDI levels in air and TDA levels in plasma. Elimination from plasma had two phases. The biological half time was two to five hours for the fast phase and more than six days for the slow phase.
来源:Hazardous Substances Data Bank (HSDB)
代谢
化物通过口服、吸入和皮肤途径迅速被吸收,并分布到全身。化物主要通过罗丹酶或3-巯基丙酸转移酶代谢成化物。化物的代谢物通过尿液排出。
Cyanide is rapidly alsorbed through oral, inhalation, and dermal routes and distributed throughout the body. Cyanide is mainly metabolized into thiocyanate by either rhodanese or 3-mercaptopyruvate sulfur transferase. Cyanide metabolites are excreted in the urine. (L96)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 毒性总结
化物是电子传递链第四个复合体中细胞色素c氧化酶的抑制剂(存在于真核细胞线粒体膜中)。它与这种酶中的原子形成复合物。化物与这种细胞色素的结合阻止了电子从细胞色素c氧化酶传递到氧气。因此,电子传递链被中断,细胞无法再通过有氧呼吸产生ATP能量。主要依赖有氧呼吸的组织,如中枢神经系统和心脏,受到的影响尤为严重。化物也通过结合过氧化氢酶谷胱甘肽过氧化物酶、变性血红蛋白、羟胺素、磷酸酶、酪氨酸酶抗坏血酸氧化酶黄嘌呤氧化酶、琥珀酸脱氢酶和Cu/Zn超氧化物歧化酶产生一些毒性效应。化物与变性血红蛋白中的离子结合,形成无活性的变性血红蛋白。
Cyanide is an inhibitor of cytochrome c oxidase in the fourth complex of the electron transport chain (found in the membrane of the mitochondria of eukaryotic cells). It complexes with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents transport of electrons from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted and the cell can no longer aerobically produce ATP for energy. Tissues that mainly depend on aerobic respiration, such as the central nervous system and the heart, are particularly affected. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. Cyanide binds to the ferric ion of methemoglobin to form inactive cyanmethemoglobin. (L97)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 毒性总结
2,4-甲苯二异氰酸酯是一种胆碱酯酶乙酰胆碱酯酶(AChE)抑制剂胆碱酯酶抑制剂(或“抗胆碱酯酶”)抑制乙酰胆碱酯酶的作用。由于其基本功能,干扰乙酰胆碱酯酶作用的化学物质是强大的神经毒素,在低剂量时会导致过度流涎和流泪,随后是肌肉痉挛,最终导致死亡。神经气体和许多用于杀虫剂的物质已被证明通过结合乙酰胆碱酯酶活性位点的丝氨酸,完全抑制该酶。乙酰胆碱酯酶分解神经递质乙酰胆碱,后者在神经和肌肉接头处释放,以便让肌肉或器官放松。乙酰胆碱酯酶抑制的结果是乙酰胆碱积聚并继续发挥作用,使得任何神经冲动不断传递,肌肉收缩不会停止。最常见的乙酰胆碱酯酶抑制剂之一是基于的化合物,它们被设计成与酶的活性位点结合。结构要求是一个带有两个亲脂性基团的原子,一个离去基团(如卤素或硫氰酸盐)以及一个末端的氧。
2,4-Toluene diisocyanate is a cholinesterase or acetylcholinesterase (AChE) inhibitor. A cholinesterase inhibitor (or 'anticholinesterase') suppresses the action of acetylcholinesterase. Because of its essential function, chemicals that interfere with the action of acetylcholinesterase are potent neurotoxins, causing excessive salivation and eye-watering in low doses, followed by muscle spasms and ultimately death. Nerve gases and many substances used in insecticides have been shown to act by binding a serine in the active site of acetylcholine esterase, inhibiting the enzyme completely. Acetylcholine esterase breaks down the neurotransmitter acetylcholine, which is released at nerve and muscle junctions, in order to allow the muscle or organ to relax. The result of acetylcholine esterase inhibition is that acetylcholine builds up and continues to act so that any nerve impulses are continually transmitted and muscle contractions do not stop. Among the most common acetylcholinesterase inhibitors are phosphorus-based compounds, which are designed to bind to the active site of the enzyme. The structural requirements are a phosphorus atom bearing two lipophilic groups, a leaving group (such as a halide or thiocyanate), and a terminal oxygen.
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 致癌性证据
评价:在人类中,关于甲苯二异氰酸酯的致癌性证据不足。在实验动物中,关于甲苯二异氰酸酯的致癌性证据充分。总体评价:甲苯二异氰酸酯可能对人类致癌(2B组)。/甲苯二异氰酸酯/
Evaluation: There is inadequate evidence for the carcinogenicity of toluene diisocyanates in humans. There is sufficient evidence for the carcinogenicity of toluene diisocyanates in experimental animals. Overall evaluation: Toluene diisocyanates are possibly carcinogenic to humans (Group 2B). /Toluene diisocyanates/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 致癌性证据
甲苯二异氰酸酯:有理由预期为人类致癌物。/甲苯二异氰酸酯/
Toluene Diisocyanates: Reasonably anticipated to be human carcinogens. /Toluene Diisocyanates/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 致癌性证据
A4:不能分类为人类致癌物。/甲苯-2,4-或2,6-二异氰酸酯(或作为混合物)/
A4: Not classifiable as a human carcinogen. /Toluene-2,4- or 2,6-diisocyanate (or as a mixture)/
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
...对Fischer 344大鼠口服60 mg/kg bw的(14)C甲苯2,4-二异氰酸酯后48小时,81%,8%和4%的放射性分别出现在粪便、尿液和组织/尸体/胃肠道内容物中。在吸入2 ppm (14.2 mg/cu m) (14)C甲苯2,4-二异氰酸酯2小时的大鼠中,得到了明显不同的结果。暴露48小时后,47%,15%和34%的回收放射性分别出现在粪便、尿液和组织/尸体/胃肠道内容物中。
... The route dependent metabolism of (14)C toluene 2,4-diisocyanate and (14)C toluene 2,4 diamine in Fischer 344 rats /was investigatd/. Forty-eight hours after an oral dose of 60 mg (14)C toluene 2,4 diisocyanate/kg bw, 81%, 8% and 4% of the radioactivity was found in the feces, urine and tissue/carcass/gastrointestinal tract contents, respectively. Markedly different results were obtained following inhalation exposure of rats to 2 ppm (14.2 mg/cu m) (14)C toluene 2,4 diisocyanate for 2 hr. Forty eight hours after exposure, 47%, 15% and 34% of the recovered radioactivity was in the feces, urine and tissue/carcass/gastrointestinal tract contents, respectively.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
在比较研究中,给大鼠口服或静脉注射14C甲苯2,4-二胺(14C甲苯2,4-二异氰酸酯解产物)剂量为3 mg/kg体重,以及口服60 mg/kg体重。48小时后,所有情况下的放射性分布相似(尿液,64-72%;粪便,20-31%;组织/尸体/胃肠道,2-5%)。将吸入甲苯2,4-二异氰酸酯组与口服甲苯2,4-二异氰酸酯甲苯2,4-二胺处理组进行比较,表明吸入的放射性有较大比例存在于组织/尸体中,且甲苯2,4-二异氰酸酯吸入后放射性随尿液的排泄较慢。
In comparative studies, (14)C toluene 2,4-diamine, the hydrolysis product of (14)C toluene 2,4-diisocyanate, was administered to rats at doses of 3 mg/kg bw (orally or intravenously) and 60 mg/kg bw orally. After 48 hr, the distribution of radioactivity was similar in all cases (urine, 64-72%; feces, 20-31%; and tissue/carcass/gastrointestinal tract, 2-5%). Comparison of the toluene 2,4-diisocyanate inhalation group with the oral toluene 2,4-diisocyanate and toluene 2,4-diamine treatment groups indicated that a larger percentage of the inhaled radioactivity was in the tissues/carcass and that excretion of radioactivity into the urine was slower following toluene 2,4-diisocyanate inhalation.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
在吸入或口服暴露于14C甲苯-2,4-二异氰酸酯后,约90%和65%的定量尿中代谢物是酸不稳定的结合物。相比之下,在口服14C甲苯-2,4-二胺后,只有16至39%的尿中代谢物是结合的。
Following inhalation or oral exposure to (14)C toluene 2,4-diisocyanate, about 90% and 65% of the quantitated urinary metabolites were acid labile conjugates. In contrast, only 16 39% of the urinary metabolites were conjugated following oral administration of (14)C toluene 2,4-diamine.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
吸入甲苯二异氰酸酯主要导致形成酸不稳定的结合物,几乎没有或没有甲苯二胺形成。这表明吸入的甲苯二异氰酸酯的处置方式与口服或静脉注射的甲苯二异氰酸酯或口服的甲苯二胺的处置方式有很大不同。
Inhalation exposure to toluene 2,4-diisocyanate results primarily in the formation of acid labile conjugates, with little or no toluene 2,4-diamine being formed. This suggests that the disposition of inhaled toluene 2,4-diisocyanate is quite different from that of orally administered toluene 2,4-diisocyanate or of intravenously or orally administered toluene 2,4-diamine.
来源:Hazardous Substances Data Bank (HSDB)

安全信息

  • TSCA:
    Yes
  • 危险等级:
    6.1
  • 立即威胁生命和健康浓度:
    2.5 ppm
  • 危险品标志:
    T+
  • 安全说明:
    S23,S36/37,S45,S61
  • 危险类别码:
    R52/53,R40,R36/37/38,R42/43,R26
  • WGK Germany:
    2
  • 海关编码:
    29291010
  • 危险品运输编号:
    UN 2078 6.1/PG 2
  • 危险类别:
    6.1
  • RTECS号:
    CZ6300000
  • 包装等级:
    II
  • 危险标志:
    GHS06,GHS08
  • 危险性描述:
    H315,H317,H319,H330,H334,H335,H351,H412
  • 危险性防范说明:
    P260,P280,P284,P304 + P340 + P310,P342 + P311,P403 + P233

SDS

SDS:95fdf10eaff6560d823592e1d0910085
查看

制备方法与用途

甲苯-2,4-二异氰酸酯是一种常温常压下无色透明的液体状化合物,对分较为敏感。它虽然相对稳定,但容易解,应存放在阴凉、干燥和通风良好的地方,避免阳光直射。

该物质是一种重要的有机合成中间体,具有较高的反应活性,能够与胺、醇和等进行反应,生成相应的尿酸酯和酯类化合物。

甲苯-2,4-二异氰酸酯为无色液体。其熔点为19.5至21.5℃,沸点在251℃或于126℃(1.47kPa)下挥发;相对密度为1.2244(20/4℃),闪点为132℃。它能与乙醚丙酮四氯化碳、苯、氯苯和汽油混溶,并且与和醇反应会分解。

商品简称TDI,主要由2,4-异构体和2,6-异构体混合而成,常见的牌号有TDI-65/35(2,4-异构体占65%)和TDI-80/20。前者熔点为3.5至5.5℃,后者为11.5至13.5℃。

甲苯-2,4-二异氰酸酯主要用于合成聚酯产品,包括泡沫塑料、聚酯涂料、聚酯橡胶;同时也应用于聚酰亚胺纤维和胶粘剂等。

该化合物用于纤维、泡沫塑料及橡胶的合成,并可用作粘合剂。其生产方法是通过将甲苯硝化生成二硝基甲苯,再经还原得到甲苯二胺。随后,甲苯二胺光气反应即得TDI(以2,4-异构体为主)。

甲苯-2,4-二异氰酸酯被归类为有毒物品,属于剧毒物质。急性吸入毒性数据如下:大鼠LC50为98毫克/立方米/4小时;小鼠LC50为70毫克/立方米/4小时。皮肤刺激表现为兔子接触500毫克24小时后中度刺激;眼睛刺激则在兔子接触100毫克后表现出重度反应。

该物质遇空气混合可形成爆炸性气体,遇明火或高温会分解产生有毒氮氧化物气体。储存和运输时应注意通风干燥、低温,并与氧化剂、食品添加剂、酸类及碱类分开存放。

灭火方式建议使用泡沫、雾状二氧化碳、砂土或干粉;禁止使用酸碱灭火剂。

职业暴露标准为TLV-TWA 0.005 PPM(0.036毫克/立方米)和STEL 0.02 PPM(0.14 毫克/立方米),最大接触限值为0.02 PPM(0.14 毫克/ 立方米)。

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
    • 1
    • 2

反应信息

  • 作为反应物:
    描述:
    参考文献:
    名称:
    Lussy, Chemische Berichte, 1875, vol. 8, p. 293
    摘要:
    DOI:
  • 作为产物:
    描述:
    2,4-tolylene diurea二苄醚 作用下, 以 四氢呋喃 为溶剂, 生成 甲苯-2,4-二异氰酸酯
    参考文献:
    名称:
    Reaction method accompanied by production of gas component
    摘要:
    本发明涉及一种反应方法,包括以下步骤:将含有至少一种原料化合物和一个标准沸点低于原料化合物的标准沸点的低沸点化合物的液体输送到流通道中;加热液体以通过原料化合物的反应生成液体反应产物和气体组分;将含有反应产物的液相与含有气体组分和低沸点化合物的气相分离。
    公开号:
    US10118110B2
  • 作为试剂:
    参考文献:
    名称:
    由l-氨基酸合成的大环化合物及其通过有机液膜对氨基酯盐的选择性转运
    摘要:
    18-元大环的合成,24元大环化合物,和30元大环化合物,,,,,通过使用二甘醇酸和氨基酸作为构成成分来实现。氨基酯盐通过有机液体膜的选择性转运是由其大环和中间体化合物介导的。这些含有氨基酸部分的载体的转移能力不同于18-冠-6。
    DOI:
    10.1016/s0040-4020(01)86893-9
点击查看最新优质反应信息

文献信息

  • SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME
    申请人:KABUSHIKI KAISHA SHOFU
    公开号:US20190300552A1
    公开(公告)日:2019-10-03
    The present invention relate to a novel silane coupling agent and a medical and/or dental curable composition comprising the same. It is an object of the present invention to provide a novel silane coupling agent that imparts high affinity to a radical polymerizable monomer, thereby imparting high mechanical strength, flexibility and durability when used for a medical and/or dental curable composition, and an inorganic filler surface-treated with the novel silane coupling agent and a novel medical and/or dental curable composition. A silane coupling agent including repeating units such as a urethane bond and polyethylene glycol (ether bond) at a specific position is used.
    本发明涉及一种新型硅烷偶联剂以及包括该偶联剂的医用和/或牙科可固化组合物。本发明的目的是提供一种新型硅烷偶联剂,使其对自由基聚合单体具有高亲和力,从而在用于医用和/或牙科可固化组合物时赋予高机械强度、柔韧性和耐久性,并且包括经新型硅烷偶联剂表面处理的无机填料和新型医用和/或牙科可固化组合物。该硅烷偶联剂包括在特定位置具有尿素键和聚乙二醇(醚键)等重复单元。
  • Diamine Compound Having Phosphorylcholine Group, Polymer Thereof, and Process for Producing the Polymer
    申请人:Nagase Yu
    公开号:US20100036081A1
    公开(公告)日:2010-02-11
    Highly polymerizable diamine compounds having a phosphorylcholine group are disclosed. High-molecular weight polymers are obtained from the highly polymerizable diamine compound having a phosphorylcholine group as a monomer, and the polymers have improved mechanical strength, water resistance and heat resistance while maintaining excellent biocompatibility and processability of MPC polymers. Processes for producing the polymers are disclosed. The diamine compounds having a phosphorylcholine group are represented by Formula (I). The polymers contain at least 1 mol % of a specific structural unit with a phosphorylcholine group represented by Formula (II) and have a number average molecular weight of not less than 5,000. In the processes, the diamine compound is used as a monomer.
    具有胆碱基团的高聚合性二胺化合物被披露。从具有胆碱基团的高聚合性二胺化合物作为单体得到高分子量聚合物,这些聚合物具有改善的机械强度、耐性和耐热性,同时保持MPC聚合物的优异生物相容性和加工性。披露了生产这些聚合物的方法。具有胆碱基团的二胺化合物由式(I)表示。这些聚合物含有至少1摩尔%的由式(II)表示的具有胆碱基团的特定结构单元,并且具有不低于5,000的数均分子量。在这些方法中,二胺化合物被用作单体。
  • [EN] OXIME ESTER PHOTOINITIATORS<br/>[FR] PHOTO-INITIATEURS À BASE D'ESTER D'OXIME
    申请人:BASF SE
    公开号:WO2021175855A1
    公开(公告)日:2021-09-10
    Disclosed are α-oxo oxime ester compounds based on carbazole derivatives which have specific substituent groups useful as a photoinitiator, as well as photopolymerizable compositions comprising said photoinitiator and ethylenically unsaturated compounds. The photopolymerizable compositions are useful, for example, in photoresist formulations for display applications, e.g. liquid crystal display (LCD), organic light emitting diode (OLED) and touch panel.
    揭示了基于咔唑生物的α-氧代酯化合物,其具有特定取代基,可用作光引发剂,以及包括所述光引发剂乙烯不饱和化合物的光聚合组合物。这些光聚合组合物可用于例如显示应用的光阻配方,例如液晶显示器(LCD)、有机发光二极管(OLED)和触摸面板。
  • Bishydroxyureas
    申请人:3M Innovative Properties Company
    公开号:US06121323A1
    公开(公告)日:2000-09-19
    Bishydroxyureas are provided that inhibit the enzyme 5-lipoxygenase. These compounds have the formula I ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, A and M are defined herein. Also disclosed are pharmaceutical compositions containing such compounds and methods of inhibiting the enzyme 5-lipoxygenase using such compounds.
    提供了抑制酶5-脂氧合酶的双羟基类化合物。这些化合物的化学式为I ##STR1## 其中R.sub.1、R.sub.2、R.sub.3、R.sub.4、A和M在此处有定义。还公开了含有这些化合物的药物组合物以及使用这些化合物抑制酶5-脂氧合酶的方法。
  • SULFAMIDES AS TRPM8 MODULATORS
    申请人:Matthews Jay M.
    公开号:US20100160337A1
    公开(公告)日:2010-06-24
    Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds are represented by Formula I as follows: wherein Y, R 1 , R 2 , R 3 , R 4 , R A , and R B are defined herein.
    揭示了用于治疗各种疾病、综合症、症状和障碍的化合物、组合物和方法,包括疼痛。这些化合物由以下的化学式I表示: 其中Y,R1,R2,R3,R4,RA和RB在此处被定义。
查看更多

表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
查看更多图谱数据,请前往“摩熵化学”平台
mass
cnmr
ir
查看更多图谱数据,请前往“摩熵化学”平台
  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
查看更多图谱数据,请前往“摩熵化学”平台
Assign
Shift(ppm)
查看更多图谱数据,请前往“摩熵化学”平台
测试频率
样品用量
溶剂
溶剂用量
查看更多图谱数据,请前往“摩熵化学”平台

同类化合物

(βS)-β-氨基-4-(4-羟基苯氧基)-3,5-二碘苯甲丙醇 (S,S)-邻甲苯基-DIPAMP (S)-(-)-7'-〔4(S)-(苄基)恶唑-2-基]-7-二(3,5-二-叔丁基苯基)膦基-2,2',3,3'-四氢-1,1-螺二氢茚 (S)-盐酸沙丁胺醇 (S)-3-(叔丁基)-4-(2,6-二甲氧基苯基)-2,3-二氢苯并[d][1,3]氧磷杂环戊二烯 (S)-2,2'-双[双(3,5-三氟甲基苯基)膦基]-4,4',6,6'-四甲氧基联苯 (S)-1-[3,5-双(三氟甲基)苯基]-3-[1-(二甲基氨基)-3-甲基丁烷-2-基]硫脲 (R)富马酸托特罗定 (R)-(-)-盐酸尼古地平 (R)-(-)-4,12-双(二苯基膦基)[2.2]对环芳烷(1,5环辛二烯)铑(I)四氟硼酸盐 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[((6-甲基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[(4-叔丁基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[(3-甲基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-(+)-4,7-双(3,5-二-叔丁基苯基)膦基-7“-[(吡啶-2-基甲基)氨基]-2,2”,3,3'-四氢1,1'-螺二茚满 (R)-3-(叔丁基)-4-(2,6-二苯氧基苯基)-2,3-二氢苯并[d][1,3]氧杂磷杂环戊烯 (R)-2-[((二苯基膦基)甲基]吡咯烷 (R)-1-[3,5-双(三氟甲基)苯基]-3-[1-(二甲基氨基)-3-甲基丁烷-2-基]硫脲 (N-(4-甲氧基苯基)-N-甲基-3-(1-哌啶基)丙-2-烯酰胺) (5-溴-2-羟基苯基)-4-氯苯甲酮 (5-溴-2-氯苯基)(4-羟基苯基)甲酮 (5-氧代-3-苯基-2,5-二氢-1,2,3,4-oxatriazol-3-鎓) (4S,5R)-4-甲基-5-苯基-1,2,3-氧代噻唑烷-2,2-二氧化物-3-羧酸叔丁酯 (4S,4''S)-2,2''-亚环戊基双[4,5-二氢-4-(苯甲基)恶唑] (4-溴苯基)-[2-氟-4-[6-[甲基(丙-2-烯基)氨基]己氧基]苯基]甲酮 (4-丁氧基苯甲基)三苯基溴化磷 (3aR,8aR)-(-)-4,4,8,8-四(3,5-二甲基苯基)四氢-2,2-二甲基-6-苯基-1,3-二氧戊环[4,5-e]二恶唑磷 (3aR,6aS)-5-氧代六氢环戊基[c]吡咯-2(1H)-羧酸酯 (2Z)-3-[[(4-氯苯基)氨基]-2-氰基丙烯酸乙酯 (2S,3S,5S)-5-(叔丁氧基甲酰氨基)-2-(N-5-噻唑基-甲氧羰基)氨基-1,6-二苯基-3-羟基己烷 (2S,2''S,3S,3''S)-3,3''-二叔丁基-4,4''-双(2,6-二甲氧基苯基)-2,2'',3,3''-四氢-2,2''-联苯并[d][1,3]氧杂磷杂戊环 (2S)-(-)-2-{[[[[3,5-双(氟代甲基)苯基]氨基]硫代甲基]氨基}-N-(二苯基甲基)-N,3,3-三甲基丁酰胺 (2S)-2-[[[[[((1S,2S)-2-氨基环己基]氨基]硫代甲基]氨基]-N-(二苯甲基)-N,3,3-三甲基丁酰胺 (2S)-2-[[[[[[((1R,2R)-2-氨基环己基]氨基]硫代甲基]氨基]-N-(二苯甲基)-N,3,3-三甲基丁酰胺 (2-硝基苯基)磷酸三酰胺 (2,6-二氯苯基)乙酰氯 (2,3-二甲氧基-5-甲基苯基)硼酸 (1S,2S,3S,5S)-5-叠氮基-3-(苯基甲氧基)-2-[(苯基甲氧基)甲基]环戊醇 (1S,2S,3R,5R)-2-(苄氧基)甲基-6-氧杂双环[3.1.0]己-3-醇 (1-(4-氟苯基)环丙基)甲胺盐酸盐 (1-(3-溴苯基)环丁基)甲胺盐酸盐 (1-(2-氯苯基)环丁基)甲胺盐酸盐 (1-(2-氟苯基)环丙基)甲胺盐酸盐 (1-(2,6-二氟苯基)环丙基)甲胺盐酸盐 (-)-去甲基西布曲明 龙蒿油 龙胆酸钠 龙胆酸叔丁酯 龙胆酸 龙胆紫-d6 龙胆紫