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对氯苯酚 | 106-48-9

中文名称
对氯苯酚
中文别名
4-氯-1-羟基苯;4-羟基氯苯;4-氯苯酚;对氯酚;对羟基氯苯;4-氯酚;对氯(苯)酚;4-氯-苯酚
英文名称
4-chloro-phenol
英文别名
para-chlorophenol;p-chlorophenol;4-Chlorophenol
对氯苯酚化学式
CAS
106-48-9
化学式
C6H5ClO
mdl
MFCD00002318
分子量
128.558
InChiKey
WXNZTHHGJRFXKQ-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:
    42-45 °C
  • 沸点:
    220 °C (lit.)
  • 密度:
    1.306 g/mL at 25 °C (lit.)
  • 蒸气密度:
    4.43 (vs air)
  • 闪点:
    240 °F
  • 溶解度:
    在乙醇中的溶解度为50mg/mL,清澈至非常微混浊,无色至淡棕黄色
  • 介电常数:
    9.5(54.0℃)
  • LogP:
    2.5 at 35℃
  • 物理描述:
    P-chlorophenol appears as white crystals with a strong phenol odor. Slightly soluble to soluble in water, depending on the isomer, and denser than water. Noncombustible. Used as an intermediate in organic synthesis of dyes and drugs.
  • 颜色/状态:
    Needle like, white to straw-colored crystals
  • 气味:
    Characeteristic phenolic odor
  • 蒸汽密度:
    4.4 (NTP, 1992) (Relative to Air)
  • 蒸汽压力:
    8.7X10-2 mm Hg at 25 °C
  • 稳定性/保质期:
    1. 遇明火、高热可燃,分解放出有毒的腐蚀性烟气。 2. 稳定性:稳定 3. 禁配物:强氧化剂、强酸、酰基氯、酸酐 4. 聚合危害:不聚合 5. 分解产物:氯化氢
  • 分解:
    When heated to decomposition it emits toxic fumes of /hydrogen chloride/.
  • 粘度:
    5 cP at 50 °C
  • 燃烧热:
    -9,330 BTU/lb
  • 汽化热:
    47.04 kJ/mol
  • 气味阈值:
    250 ug/L 25 °C in water
  • 折光率:
    Index of refraction: 1.5419 at 55 °C/D; 1.5579 at 40 °C/D
  • 解离常数:
    pKa = 9.41
  • 碰撞截面:
    108.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
  • 保留指数:
    1165;1167;1169;1170.93;1157;1167;1157;1158;1161;1192;1204;1164;1165;1167;1158;1145;1161;1166;1167;1192;1168;1171;1192

计算性质

  • 辛醇/水分配系数(LogP):
    2.4
  • 重原子数:
    8
  • 可旋转键数:
    0
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    20.2
  • 氢给体数:
    1
  • 氢受体数:
    1

ADMET

代谢
P-氯苯酚在大鼠体内转化为对-氯苯酚硫酸盐。
P-Chlorophenol yields p-chloroanisole in guinea pigs. P-Chlorophenol yields 4-chlorocatechol p-chloro phenyl-beta-D-glucuronide & p-chlorphenyl sulfate in rabbits. P-Chlorophenol yields p-chlorophenyl sulfate in rats.
来源:DrugBank
代谢
P-氯苯酚在大鼠体内转化为对氯茴香醚。
P-Chlorophenol yields p-chloroanisole in guinea pigs.
来源:Hazardous Substances Data Bank (HSDB)
代谢
对氯苯酚在大白兔体内代谢生成4-氯儿茶酚、对氯苯基-β-D-葡萄糖醛酸苷和对氯苯基硫酸酯。
P-Chlorophenol yields 4-chlorocatechol p-chloro phenyl-beta-D-glucuronide & p-chlorphenyl sulfate in rabbits.
来源:Hazardous Substances Data Bank (HSDB)
代谢
P-氯苯酚在大鼠体内会生成P-氯苯基-β-D-葡萄糖苷酸 * P-氯苯基硫酸盐。
P-Chlorophenol yields p-chlorophenyl-beta-D-glucuronide * p-chlorophenyl sulfate in hens.
来源:Hazardous Substances Data Bank (HSDB)
代谢
P-氯苯酚在大鼠体内产生对氯苯基硫酸盐。
P-Chlorophenol yields p-chlorophenyl sulfate in rats.
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 毒性总结
4-氯苯酚作为氧化磷酸化解偶联的弱剂和细胞呼吸的抑制剂。随着氯化程度的增加,氯苯酚解偶联氧化磷酸化的能力增强。实际上,研究表明氯苯酚对磷酸化和细胞呼吸的影响与浓度有关,呈现三阶段效应。在低浓度下,解偶联会导致静息状态呼吸的刺激,这是由于在没有磷酸盐受体的情况下增加了三磷酸腺苷酶(ATPase)活性。也观察到活性的呼吸抑制。在中等浓度下,静息呼吸既不被刺激也不被抑制。在非常高浓度下,会出现显著的呼吸抑制,伴随着电子传递过程的破坏和ATPase活性的降低。解偶联活性归因于质子载体效应(氯苯酚在膜磷脂双层中的分布导致线粒体膜能量梯度破坏),而细胞呼吸的抑制归因于对细胞内蛋白质的直接作用(L159)。
4-chlorophenol works as a weak uncoupler of oxidative phosphorylation and inhibitors of cellular respiration. The ability of chlorophenols to uncouple oxidative phosphorylation increases with increasing chlorination. In fact, studies indicate a concentration-dependent triphasic effect of chlorophenols on phosphorylation and cellular respiration. At low concentrations, uncoupling produces stimulation of the resting state respiration as a result of increased adenosine triphosphatase (ATPase) activity in the absence of a phosphate acceptor.Inhibition of active respiration is also observed. At moderate concentrations, resting respiration is neither stimulated nor inhibited. Significant inhibition of respiration, associated with a breakdown of the electron transport process and decreased ATPase activity, occurs at very high concentrations. Uncoupling activity has been attributed to a protonophoric effect (a disruption of the energy gradient across the mitochondrial membrane resulting from distribution of chlorophenols in the phospholipid bilayer of the membrane), whereas inhibition of cellular respiration has been attributed to a direct action on intracellular proteins (L159).
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 致癌物分类
无致癌性迹象(未被国际癌症研究机构IARC列名)。
No indication of carcinogenicity (not listed by IARC). (L135)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 健康影响
4-氯苯酚对上皮组织具有腐蚀性。当其应用于角膜时,可产生从轻微充血到严重腐蚀的各种效果。急性吸入暴露可能导致肺部出血和呼吸急促。口服2-氯苯酚可能产生多种神经学效应,包括震颤、肌阵挛性抽搐、驼背姿势、呼吸困难、虚脱和昏迷(L159)。
4-chlorophenol is corrosive to epithelial tissue. It produce effects ranging from slight hyperemia to severe corrosion when applied to the corneas. Acute inhalation exposure may lead to hemorrhage in the lungs and tachypnea. Oral exposure to 2-chlorophenol can produce a variety of neurological effects, including tremors, myoclonic convulsions, a hunched posture, dyspnea, collapse, and coma (L159).
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 暴露途径
该物质可以通过吸入其气溶胶、通过皮肤和经口摄入被身体吸收。
The substance can be absorbed into the body by inhalation of its aerosol, through the skin and by ingestion.
来源:ILO-WHO International Chemical Safety Cards (ICSCs)
毒理性
  • 暴露途径
吸入(L159);口服(L159);经皮(L159)
Inhalation (L159) ; oral (L159) ; dermal (L159)
来源:Toxin and Toxin Target Database (T3DB)
吸收、分配和排泄
  • 吸收
从胃肠道吸收。
absorbed from gastrointestinal tract.
来源:DrugBank
吸收、分配和排泄
  • 消除途径
87%的4-氯酚以硫酸盐和葡萄糖醛酸苷的形式在狗的尿液中排出。
87% of 4-chlorophenol was excreted in urine of dogs as sulfate and glucuronide.
来源:DrugBank
吸收、分配和排泄
许多兔子的研究表明,单氯酚的代谢主要是通过结合作用进行的。在一项研究中,将6只兔子一组通过灌胃方式一次性给予171.3毫克/千克的2-CP或4-CP,这些化合物被乳化在水中。对于这两种异构体,24小时尿液分析显示,78.1%到88.3%的给药剂量以葡萄糖苷酸形式排出,12.8%到20.6%的给药剂量以醚硫酸盐形式排出。总的来说,给药的2-CP或4-CP剂量分别有101.7%和101.1%以尿液中的葡萄糖苷酸和硫酸盐结合物形式被计算在内。
A number of rabbit studies have shown that metabolism of the monochlorophenols is principally via conjugation. In one study, groups of 6 rabbits were treated by gavage with 171.3 mg/kg of 2-CP or 4-CP emulsified in water as a single dose. For both isomers, the 24-hour urine analysis indicated that between 78.1 and 88.3% of the administered dose was excreted as the glucuronide, and between 12.8 and 20.6% of the administered dose was excreted as the ethereal sulfate. A total of 101.7 and 101.1% of the administered 2-CP or 4-CP doses, respectively, was accounted for as urinary glucuronide and sulfate conjugates.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
代谢被...在4只兔子中进行研究,每只兔子通过灌胃给予平均剂量为395毫克/千克/天的4-CP。36小时后,给药剂量的54.1%以葡萄糖醛酸苷的形式出现在尿液中,给药剂量的10.4%出现在醚硫酸盐部分。只有0.1%的给药剂量以4-氯儿茶酚的形式被排出。后者实验中总回收率较低(64.5%),限制了结论的得出。
Metabolism was ... investigated in 4 rabbits, each treated by gavage with an average dose of 395 mg/kg/day of 4-CP. After 36 hours, 54.1% of the administered dose appeared in the urine as the glucuronide conjugate, and 10.4% of the administered dose appeared in the ethereal sulfate fraction. Only 0.1% of the administered dose was excreted as 4-chlorocatechol. The low total recovery (64.5%) in the latter experiment limits conclusions.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
在狗的有限研究中,大约有一半的口服剂量的2-CP或4-CP以醚硫酸盐的形式从尿液中排出。没有发现代谢为巯基尿酸的证据。
In a limited study in dogs about half of an oral dose of 2- or 4-CP was excreted in the urine as the ethereal sulfate. No evidence for metabolism to mercapturic acid was found.
来源:Hazardous Substances Data Bank (HSDB)

安全信息

  • TSCA:
    Yes
  • 危险等级:
    6.1
  • 危险品标志:
    Xn
  • 安全说明:
    S24/25,S28,S28A,S61
  • 危险类别码:
    R51/53,R20/21/22
  • WGK Germany:
    2
  • 海关编码:
    2908191000
  • 危险品运输编号:
    UN 2020 6.1/PG 3
  • 危险类别:
    6.1
  • RTECS号:
    SK2800000
  • 包装等级:
    III
  • 危险标志:
    GHS07,GHS09
  • 危险性描述:
    H302,H312,H332,H411
  • 危险性防范说明:
    P273,P280
  • 储存条件:
    储存注意事项: - 储存于阴凉、通风的库房。 - 远离火种、热源,包装密封。 - 应与氧化剂、酸类及食用化学品分开存放,切忌混储。 - 配备相应品种和数量的消防器材。 - 储区应备有合适的材料收容泄漏物。

SDS

SDS:ca1dc50af18eae721537a62ff1480c6c
查看
第一部分:化学品名称

制备方法与用途

对氯苯酚

对氯苯酚是一种白色结晶(不纯时为黄色至粉红色)状物质,具有不愉快的气味。它能溶于水、乙醇、苯和醚,并能随水蒸汽挥发,有强烈刺激性。在车间空气中的最高容许浓度为1毫克/米³。大鼠经口半数致死量为261毫克/千克。

应用

对氯苯酚主要用于农药、医药、染料及塑料等工业,也可作为乙醇变色剂、精炼矿物油选择性溶剂以及显微分析的辅助工具。

化学性质

纯品为白色晶体(工业品为黄色或粉红色),具有不愉快的刺激性气味。几乎不溶于水,但能溶于苯、乙醇、乙醚、甘油、氯仿、固定油和挥发油中。

用途
  • 合成染料:用于制备中性艳绿BL。
  • 医药与农药:包括安妥明及某些农药的生产。
  • 精炼矿物油溶剂
  • 显微镜分析
  • 其他:还可用于制造多种农药和药物。
生产方法

对氯苯酚的制备主要有以下几种方法:

  1. 苯酚直接氯化法

    • 以苯酚为原料,按不同氯化剂及溶剂可分为三种方法:
      • 氯化硫酰法:将苯酚加热熔化后降温至40℃加入氯化硫酰。反应尾气用碱液吸收。
      • 苯溶剂法:使用苯作为溶剂进行直接氯化。
      • 无溶剂氯化法:采用铁或溴等为催化剂,通入氯气直接氯化。
  2. 对氯苯水解法

    • 使用对二氯苯为原料,在水中、醇中或苯中制备。
  3. 其他方法:

    • 由苯酚钠经氯化反应生成邻、对氯酚和2,4-二氯苯酚混合液,通过分馏得到目标产物。
    • 由对氨基苯酚重氮化后氯化亚铜置换而得。
    • 由对氯苯胺重氮化、水解及消除过程制备。
性质

毒性分级:高毒
急性毒性

  • 腹腔注射-大鼠LD50: 281毫克/公斤;
  • 口服-小鼠LD50: 367毫克/公斤。 刺激性
  • 皮肤接触-兔子2毫克/24小时,中度刺激;
  • 眼睛接触-兔子0.25毫克/24小时,重度刺激。

可燃性危险特性:遇明火可燃烧,并释放有毒氯化物烟雾。
储运特性:需存放在通风、低温干燥的库房内,与其他氧化剂和食品添加剂分开存放。
灭火剂:使用二氧化碳、泡沫或砂土进行扑灭。

职业标准:时间加权平均容许浓度(TWA)为1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
    • 1
    • 2
    • 3
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量
    • 1
    • 2
    • 3
    • 4
    • 5

反应信息

  • 作为反应物:
    描述:
    对氯苯酚2,6-二甲基吡啶 、 sodium carbonate 、 bis(dibenzylideneacetone)-palladium(0)2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯 作用下, 以 1,4-二氧六环二氯甲烷 为溶剂, 反应 49.0h, 生成 对苯二甲醇
    参考文献:
    名称:
    Palladium-Catalyzed Direct Hydroxymethylation of Aryl Halides and Triflates with Potassium Acetoxymethyltrifluoroborate
    摘要:
    Suzuki-Miyaura cross-coupling reactions of aryl halides and triflates with potassium acetoxymethyltrifluoroborate afforded the corresponding aryl and heteroaryl methanol products in moderate to excellent yields.
    DOI:
    10.1021/ol300149b
  • 作为产物:
    描述:
    五氯酚sodium hydroxide四乙基溴化铵 、 sodium sulfate 作用下, 以 甲醇 为溶剂, 生成 对氯苯酚
    参考文献:
    名称:
    Electroreduction of Organic Compounds, 34 [1]. Cathodic Dehalogenation of Chloroarenes with Electron-Donating Substituents
    摘要:
    氯代芳烃的电化学还原与供电取代基(如氯甲苯、-苯甲醚和-酚)进行研究。在铅或碳阴极下,在各种溶剂支持电解质的电位静态和电流静态条件下进行制备电解。在适当条件下,可能对具有两个或更多氯取代基的化合物进行部分和主要区域选择性的去氯化。尤其是在对位,替换一个单独的氯取代基是困难的。因此,高度有毒和持久的寡氯衍生物可以转化为氯化程度较低的问题较少的化合物。通过电还原,也可以显着降低受氯化酚和Nitrofen®污染的土壤提取物等实际材料的氯含量。
    DOI:
    10.1515/znb-2003-1206
  • 作为试剂:
    描述:
    1,12-二溴十二烷 在 hexacarbonyl molybdenum 哌啶 、 bis-triphenylphosphine-palladium(II) chloride 、 氢氧化钾copper(l) iodide3-己炔对氯苯酚 作用下, 以 二甲基亚砜邻二氯苯甲苯 为溶剂, 反应 40.0h, 生成 5,6,7,8,9,10,11,12,13,14,15,16,17,18-tetradecahydrodibenzo[a,e][20]annulene
    参考文献:
    名称:
    Increased Activity of in Situ Catalysts for Alkyne Metathesis
    摘要:
    [GRAPHIC]Reaction of an enyne (1,1-diphenyl-pent-1-ene-3-yne) with a preheated mixture of Mo(CO)(6)/4-chlorophenol/3-hexyne at 130 degreesC furnished 1,1,6,6-tetraphenylhex-1,5-diene-3-yne in an 80% yield. If the starting material was heated with a mixture Of MO(CO)6 and 4-chlorophenol under identical conditions, no reaction was observed.
    DOI:
    10.1021/ol026118x
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文献信息

  • [EN] AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS<br/>[FR] ANALOGUES D'AZAPYRIDONE UTILES COMME ANTAGONISTES DU RÉCEPTEUR 1 DE L'HORMONE CONCENTRANT LA MÉLANINE
    申请人:BRISTOL MYERS SQUIBB CO
    公开号:WO2010104818A1
    公开(公告)日:2010-09-16
    MCHR1 antagonists are provided having the following Formula (I): A1 and A2 are independently C or N; E is C or N; Q1, Q2, and Q3 are independently C or N provided that at least one of Q1, Q2, and Q3 is N but not more than one of Q1, Q2, and Q3 is N; D1 is a bond, -CR8R9 X-, -XCR8R9-, -CHR8CHR9-, -CR10=CR10'-, -C≡C-, or 1,2-cyclopropyl; X is O, S or NR11; R1, R2, and R3 are independently selected from the group consisting of hydrogen, halogen, lower alkyl, lower cycloalkyl, -CF3, -OCF3, -OR12 and -SR12; G is O, S or -NR15; D2 is lower alkyl, lower cycloalkyl, lower alkylcycloalkyl, lower cycloalkylalkyl, lower cycloalkoxyalkyl or lower alkylcycloalkoxy or when G is NR15, G and D2 together may optionally form an azetidine, pyrrolidine or piperidine ring; Z1 and Z2 are independently hydrogen, lower alkyl, lower cycloalkyl, lower alkoxy, lower cycloalkoxy, halo, -CF3, -OCONR14R14', -CN, -CONR14R14', -SOR12, -SO2R12, -NR14COR14', -NR14CO2R14', -CO2R12, NR14SO2R12 or COR12; R5, R6, and R7 are independently selected from the group consisting of hydrogen lower alkyl, lower cycloalkyl, -CF3, -SR12, lower alkoxy, lower cycloalkoxy, -CN, -CONR14R14', SOR12, SO2R12, NR14COR14', NR14CO2R12, CO2R12, NR14SO2R12 and -COR12; R8, R9, R10, R10', R11 are independently hydrogen or lower alkyl; R12 is lower alkyl or lower cycloalkyl; R14 and R14' are independently H, lower alkyl, lower cycloalkyl or R14 and R14' together with the N to which they are attached form a ring having 4 to 7 atoms; and R15 is independently selected from the group consisting of hydrogen and lower alkyl. Such compounds are useful for the treatment of MCHR1 mediated diseases, such as obesity, diabetes, IBD, depression, and anxiety.
    MCHR1拮抗剂具有以下化学式(I):A1和A2独立地为C或N;E为C或N;Q1、Q2和Q3独立地为C或N,但至少其中一个为N,但不超过一个为N;D1为键,-CR8R9 X-,-XCR8R9-,-CHR8CHR9-,-CR10=CR10'-,-C≡C-,或1,2-环丙基;X为O、S或NR11;R1、R2和R3独立地从氢、卤素、低烷基、低环烷基、-CF3、-OCF3、-OR12和-SR12组成的群体中选择;G为O、S或-NR15;D2为低烷基、低环烷基、低烷基环烷基、低环烷基烷基、低环烷氧基烷基或低烷基环烷氧基,或当G为NR15时,G和D2一起可以选择形成氮杂环丙烷、吡咯烷或哌啶环;Z1和Z2独立地为氢、低烷基、低环烷基、低烷氧基、低环烷氧基、卤素、-CF3、-OCONR14R14'、-CN、-CONR14R14'、-SOR12、-SO2R12、-NR14COR14'、-NR14CO2R14'、-CO2R12、NR14SO2R12或COR12;R5、R6和R7独立地从氢、低烷基、低环烷基、-CF3、-SR12、低烷氧基、低环烷氧基、-CN、-CONR14R14'、SOR12、SO2R12、NR14COR14'、NR14CO2R12、CO2R12、NR14SO2R12和-COR12组成的群体中选择;R8、R9、R10、R10'、R11独立地为氢或低烷基;R12为低烷基或低环烷基;R14和R14'独立地为H、低烷基、低环烷基或R14和R14'与其连接的N一起形成具有4至7个原子的环;R15独立地从氢和低烷基组成的群体中选择。这些化合物对于治疗MCHR1介导的疾病,如肥胖症、糖尿病、炎症性肠病、抑郁症和焦虑症非常有用。
  • Synthesis and structure of new β-functionalized gem-bromonitroethenes — 2-arylsulfanyl- and 2-aryloxy-3-bromo-3-nitroacrylates
    作者:R. I. Baichurin、K. A. Lyssenko、K. S. Kovalenko、S. V. Makarenko
    DOI:10.1007/s11172-020-3021-2
    日期:2020.11
    Alkyl 2,3-dibromo-3-nitroacrylates react with arylthiols and phenols to give earlier unknown representatives of β-functionalized gem-bromonitroethenes, namely, 2-arylsulfanyl- and 2-aryloxy-3-bromo-3-nitroacrylates; their structure was characterized by IR, UV, and NMR (1H, 13C1H}, HMQC, HMBC) spectroscopy. X-ray diffraction analysis showed that methyl 3-bromo-2-(4-chlorophenylsulfanyl)-3-nitroacrylate has a Z-configuration; the sulfanylbromonitrovinyl fragment in its molecule is relatively coplanar, while the ester group is almost perpendicular to the plane of the C-C double bond.
    烯丙基2,3-二溴-3-硝基丙烯酸酯与芳硫醇和苯酚反应,生成早期未知的β-官能化双溴硝基乙烯的代表物,即2-芳硫基-和2-芳氧基-3-溴-3-硝基丙烯酸酯;它们的结构通过IR、UV和NMR(1H,13C1H},HMQC,HMBC)光谱进行表征。X射线衍射分析显示,甲基3-溴-2-(4-氯苯硫基)-3-硝基丙烯酸酯具有Z构型;其分子中的硫基溴硝基乙烯片段相对共平面,而酯基几乎垂直于C-C双键平面。
  • NEW STRIGOLACTONE ANALOGUES AND THE USE THEREOF FOR THE TREATMENT OF PLANTS
    申请人:INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE
    公开号:US20150141255A1
    公开(公告)日:2015-05-21
    A compound of general formula (I): in which X represents O, S, NH or an N-alkyl radical, R 1 and R 2 , identical or different, each represent H or a C 1 -C 10 hydrocarbon radical, R 1 and R 2 not both representing H, R 3 represents a C 1 -C 10 hydrocarbon radical, and R represents a phenyl radical monosubstituted or disubstituted by a substituent Y and, if applicable, a substituent Z, chosen from Cl, Br, I and CF 3 , or R represents a C═R 4 (R 5 ) radical in which R 4 represents an hydrocarbon radical and R 5 represents a linear or branched, saturated or unsaturated, hydrocarbon radical, optionally substituted, a COR 6 group or a CO 2 R 6 group, where R 6 represents a hydrogen atom or a linear or branched, saturated or unsaturated, hydrocarbon radical. This compound can be used for the treatment of higher plants for controlling their growth and architecture.
    通式(I)的化合物: 其中X代表O、S、NH或N-烷基基团,R1和R2,相同或不同,各自代表H或C1-C10烃基,R1和R2不同时代表H,R3代表C1-C10烃基,R代表被取代基团Y和如适用的取代基团Z选择自Cl、Br、I和CF3的苯基单取代或双取代基团,或R代表C═R4(R5)基团,其中R4代表烃基团,R5代表线性或支链、饱和或不饱和、可选择取代的烃基团、COR6基团或CO2R6基团,其中R6代表氢原子或线性或支链、饱和或不饱和的烃基团。该化合物可用于治疗高等植物,控制其生长和结构。
  • Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
    申请人:Vertex Pharmaceuticals Incorporated
    公开号:US20150231142A1
    公开(公告)日:2015-08-20
    The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.
    本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物(A式、B式、C式或D式)的药物组合物。该发明还涉及这些药物配方,以及使用这些组合物治疗CFTR介导的疾病,特别是囊性纤维化的方法。
  • Dihalopropene compounds, insecticidal/acaricidal agents containing same,
    申请人:Sumitomo Chemical Company, Limited
    公开号:US05872137A1
    公开(公告)日:1999-02-16
    The dihalopropene compounds of the general formula \x9bI! have excellent insecticidal/acaricidal activity, so that they are satisfactorily effective for the control of noxious insects, mites and ticks.
    通用公式\x9bI!的二卤代丙烯化合物具有出色的杀虫/杀螨活性,因此它们对有害昆虫、螨和蜱的控制效果令人满意。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
hnmr
mass
cnmr
ir
raman
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  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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