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2-氟-4-溴-5-氯硝基苯 | 1027833-17-5

中文名称
2-氟-4-溴-5-氯硝基苯
中文别名
——
英文名称
1-bromo-2-chloro-5-fluoro-4-nitrobenzene
英文别名
——
2-氟-4-溴-5-氯硝基苯化学式
CAS
1027833-17-5
化学式
C6H2BrClFNO2
mdl
——
分子量
254.443
InChiKey
DIPJMSNYGIUYII-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

  • 沸点:
    291.0±35.0 °C(Predicted)
  • 密度:
    1.904±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    3.2
  • 重原子数:
    12
  • 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:
    45.8
  • 氢给体数:
    0
  • 氢受体数:
    3

安全信息

  • 海关编码:
    2904909090
  • 危险性防范说明:
    P261,P280,P305+P351+P338
  • 危险性描述:
    H302,H315,H319,H332,H335
  • 储存条件:
    室温且干燥

SDS

SDS:d5d1b3272da5e6b4ce685f2b0c03cc85
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Material Safety Data Sheet

Section 1. Identification of the substance
Product Name: 1-Bromo-2-chloro-5-fluoro-4-nitrobenzene
Synonyms:

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: 1-Bromo-2-chloro-5-fluoro-4-nitrobenzene
CAS number: 1027833-17-5

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C6H2BrClFNO2
Molecular weight: 254.4

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride, hydrogen fluoride, hy-
drogen bromide.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
Non-harzardous for air and ground transportation.

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

上下游信息

  • 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:
    2-氟-4-溴-5-氯硝基苯喹啉盐酸1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物三乙胺 作用下, 以 1,4-二氧六环丙醇二氯甲烷异丙醇 为溶剂, 反应 62.0h, 生成 (S)-N-(2-(2-chloro-5-methoxy-4-nitrophen)ethyl)-1-(piperidin-4-yl)ethanamine hydrochloride
    参考文献:
    名称:
    [EN] PHARMACEUTICALLY ACTIVE PYRAZINE DERIVATIVES
    [FR] DÉRIVÉS PYRAZINE PHARMACEUTIQUEMENT ACTIFS
    摘要:
    该发明提供了一种抑制或调节Chk-1激酶活性的化合物,用于治疗癌症。这些化合物具有一般式(1)及其盐、N-氧化物和互变异构体,其中m为2、3或4;n为0或1;Q1从键中选择;C(=O);S(O);SO2;以及在基团R4和氮原子N之间长度为1到4个碳原子的烷基链中选择的一个烷基链,其中(a)烷基链的1到4个碳原子中的一个或多个可选择地被一个或两个C1-4烷基基团取代;和/或(b)烷基链的1到4个碳原子中的一个碳原子可选择地被环丙烷-1,1-二基或1,1-环丁二基基团取代;和/或(c)烷基链的1到4个碳原子中的一个碳原子可选择地被C(=O)、S(O)或SO2取代,前提是Q1不含多于一个C(=O)、S(O)或SO2基团;R1从氢、甲基、氯和溴中选择;R2从氢、甲基、甲氧基和一个基团-(O)p-Q2-R5中选择;R3从氢、基团Hyd1、基团-O-Hyd1和基团-(O)p-Q2-R5中选择;前提是当R2和R3中的一个为-(O)p-Q2-R5时,另一个从氢、甲氧基和甲基中选择;R4从氨基、NH-Hyd2、N(Hyd2)2;和含有0、1、2或3个异原子环成员(O、N和S)及其氧化形式的非芳香碳环或杂环,环可选择地用一个或两个取代基R9取代。还提供了含有这些化合物的药物组合物和制备这些化合物的方法。
    公开号:
    WO2013072502A1
  • 作为产物:
    参考文献:
    名称:
    取代的1,4-二氢喹喔啉-2,3-二酮的合成与构效关系:N-甲基-D-天冬氨酸(NMDA)受体甘氨酸位点和非NMDA谷氨酸受体的拮抗剂。
    摘要:
    合成了一系列的单,二,三和四取代的1,4-二氢喹喔啉-2,3-二酮(QXs),并在N-甲基-D-天冬氨酸(NMDA)/甘氨酸位点和α位作为拮抗剂进行了评估-氨基-3-羟基-5-甲基异恶唑-4-丙酸优先的非NMDA受体。通过电测定在表达大鼠全脑poly(A)+ RNA的非洲爪蟾卵母细胞中测量拮抗剂的效力。三取代QX 17a(ACEA 1021),17b(ACEA 1031),24a和27,在5位含硝基,在6和7位含卤素,在甘氨酸上显示出高效价(Kb约为6-8 nM)位点,对非NMDA受体的药效中等(Kb = 0.9-1.5 microM),与非NMDA受体相比,甘氨酸位点拮抗作用的选择性最高(120-250倍)。四取代的QX 17d e是比相应的三取代QX弱100倍的弱甘氨酸位点拮抗剂,在8位上F作为取代基比Cl具有更好的耐受性。与三取代类似物相比,二取代和单取代的QX显示出越来越弱的拮抗作
    DOI:
    10.1021/jm00022a003
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文献信息

  • TNF -Alpha Modulating Benzimidazoles
    申请人:UCB Biopharma SPRL
    公开号:US20150152065A1
    公开(公告)日:2015-06-04
    A series of benzimidazole derivatives, being potent modulators of human TNFα activity, are accordingly of benefit in the treatment and/or prevention of various human ailments, including autoimmune and inflammatory disorders; neurological and neurodegenerative disorders; pain and nociceptive disorders; cardiovascular disorders; metabolic disorders; ocular disorders; and oncological disorders.
    一系列苯并咪唑衍生物,作为人类肿瘤坏死因子α活性的强效调节剂,因此在治疗和/或预防各种人类疾病方面具有益处,包括自身免疫和炎症性疾病;神经和神经退行性疾病;疼痛和痛觉障碍;心血管疾病;代谢性疾病;眼科疾病;以及肿瘤学疾病。
  • CYCLIN DEPENDENT KINASE INHIBITORS
    申请人:Pfizer Inc.
    公开号:US20190330196A1
    公开(公告)日:2019-10-31
    This invention relates to compounds of Formula (I) or a pharmaceutically acceptable salt thereof, in which R-groups R 1 to R 23 , A, Q, U, V, W, X, Y, Z, n, p and q are as defined herein, to pharmaceutical compositions comprising such compounds and salts, and to methods of using such compounds, salts and compositions for the treatment of abnormal cell growth, including cancer, in a subject.
    这项发明涉及式(I)的化合物或其药学上可接受的盐,其中R基团R1至R23,A,Q,U,V,W,X,Y,Z,n,p和q如本文所定义,以及包含这种化合物和盐的药物组合物,以及使用这种化合物、盐和组合物治疗受试者的异常细胞生长,包括癌症的方法。
  • [EN] FUSED IMIDAZOLE COMPOUNDS<br/>[FR] COMPOSÉS D'IMIDAZOLE CONDENSÉS
    申请人:ONO PHARMACEUTICAL CO
    公开号:WO2015115673A1
    公开(公告)日:2015-08-06
    The present invention provides compounds represented by formula (I), pharmaceutically acceptable salts thereof, N-oxides thereof, solvates thereof or prodrugs thereof (wherein the characters are as defined in the description). The compounds represented by formula (I) have affinity and selectivity for the gamma-aminobutyric acid A receptor subunit alpha 5 (GABAA α5) and act as GABAA α5 negative allosteric modulators (GABAA α5 NAM), so that they are useful in the prevention and/or treatment of diseases which are related to the GABAA α5 such as Alzheimer's disease.
    本发明提供了由式(I)表示的化合物,其药学上可接受的盐,N-氧化物,溶剂合物或前药(其中字符如描述中所定义)。由式(I)表示的化合物对γ-氨基丁酸A受体亚单位α5(GABAA α5)具有亲和力和选择性,并作为GABAA α5负向变构调节剂(GABAA α5 NAM)发挥作用,因此它们在预防和/或治疗与GABAA α5相关的疾病,如阿尔茨海默病中是有用的。
  • [EN] PHENOXYMETHYL DERIVATIVES<br/>[FR] DÉRIVÉS DE PHÉNOXYMÉTHYLE
    申请人:HOFFMANN LA ROCHE
    公开号:WO2017037146A1
    公开(公告)日:2017-03-09
    The invention provides novel compounds having the general formula (I), wherein RA, RB, RC, RC1 and W are as defined herein, compositions including the compounds and methods of using the compounds.
    这项发明提供了具有一般式(I)的新化合物,其中RA、RB、RC、RC1和W如本文所定义,包括这些化合物的组合物以及使用这些化合物的方法。
  • [EN] THIADIAZOLE MODULATORS OF S1P AND METHODS OF MAKING AND USING<br/>[FR] MODULATEURS THIADIAZOLE DE S1P ET PROCÉDÉS DE FABRICATION ET D'UTILISATION
    申请人:EXELIXIS INC
    公开号:WO2017004609A1
    公开(公告)日:2017-01-05
    The invention is directed to compounds of the formula: wherein each of the variables are defined herein, as well as methods of making and using the compounds as agonists of S1P1 and/or S1P5 for instance treating an autoimmune disease.
    该发明涉及以下结构的化合物:其中这些变量在此有定义,以及制备和使用这些化合物作为S1P1和/或S1P5的激动剂的方法,例如用于治疗自身免疫疾病。
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