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2-溴-4-硝基苯胺 | 13296-94-1

中文名称
2-溴-4-硝基苯胺
中文别名
——
英文名称
2-bromo-4-nitroaniline
英文别名
o-bromo-p-nitroaniline;1-amino-2-bromo-4-nitrobenzene
2-溴-4-硝基苯胺化学式
CAS
13296-94-1
化学式
C6H5BrN2O2
mdl
MFCD00025152
分子量
217.022
InChiKey
CGPPWNTVTNCHDO-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:
    104°C
  • 沸点:
    351.8±22.0 °C(Predicted)
  • 密度:
    1.7917 (rough estimate)
  • 闪点:
    166℃
  • 溶解度:
    可溶于氯仿(少许)、DMSO(少许)、甲醇(少许)
  • 稳定性/保质期:

    热分解会排出有毒的化物和氮氧化物烟雾。

计算性质

  • 辛醇/水分配系数(LogP):
    2.3
  • 重原子数:
    11
  • 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:
    71.8
  • 氢给体数:
    1
  • 氢受体数:
    3

安全信息

  • 危险等级:
    IRRITANT
  • 危险品标志:
    Xi,T
  • 安全说明:
    S28,S37,S45
  • 危险类别码:
    R33,R23/24/25
  • 海关编码:
    2921420090
  • RTECS号:
    BW9350000
  • 危险类别:
    IRRITANT
  • 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:
    库房应保持通风、低温和干燥的环境。

SDS

SDS:5e553d8fcb06452cabb78828d5d490df
查看
Material Safety Data Sheet

Section 1. Identification of the substance
Product Name: 2-Bromo-4-nitroaniline
Synonyms:

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

Section 3. Composition/information on ingredients.
Ingredient name: 2-Bromo-4-nitroaniline
CAS number: 13296-94-1

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: C6H5BrN2O2
Molecular weight: 217.0

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 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

制备方法与用途

类别:有毒物质

毒性分级:中毒

急性毒性:

  • 口服(大鼠)LD₅₀ >500 毫克/公斤
  • 静脉注射(小鼠)LD₅₀ 100 毫克/公斤

可燃性危险特性:热分解时释放有毒化物和氮氧化物烟雾

储运特性:库房通风、低温干燥

灭火剂:、干粉、干砂、二氧化碳、泡沫、1211灭火剂

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

点击查看最新优质反应信息

文献信息

  • 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。
  • Efficient one-pot transformation of aminoarenes to haloarenes using halodimethylisulfonium halides generated in situ
    作者:Woonphil Baik、Wanqiang Luan、Hyun Joo Lee、Cheol Hun Yoon、Sangho Koo、Byeong Hyo Kim
    DOI:10.1139/v05-026
    日期:2005.3.1

    Halodimethylsulfonium halide 1, which is readily formed in situ from hydrohaloic acid and DMSO, is a good nucleophilic halide. This activated nucleophilic halide rapidly converts aryldiazonium salt prepared in situ by the same hydrohaloic acid and nitrite ion to aryl chlorides, bromides, or iodides in good yield. The combined action of nitrite ion and hydrohaloic acid in DMSO is required for the direct transformation of aromatic amines, which results in the production of aryl halides within 1 h. Substituted compounds with electron-donating or -withdrawing groups or sterically hindered aromatic amines are also smoothly transformed to the corresponding aromatic halides. The only observed by-product is the deaminated arene (usually <7%). The isolated aryldiazonium salts can also be converted to the corresponding aryl halides using 1. The present method offers a facile, one-step procedure for transforming aminoarenes to haloarenes and lacks the environmental pollutants that usually accompany the Sandmeyer reaction using copper halides. Key words: aminoarenes, haloarenes, halodimethylsulfonium halide, halogenation, amination.

    二甲基亚砜卤化物1是一种良好的亲核卤化物,可在现场由氢卤酸和二甲亚砜形成。这种活化的亲核卤化物迅速将由相同的氢卤酸和亚硝酸根在现场制备的芳基重氮盐转化为芳基化物、化物或化物,收率较高。在DMSO中,亚硝酸根和氢卤酸的联合作用是直接转化芳香胺的必要条件,从而在1小时内产生芳基卤化物。带有电子给体或吸引基团或有立体位阻的芳香胺的取代化合物也可顺利转化为相应的芳香卤化物。观察到的唯一副产物是去芳烃(通常<7%)。孤立的芳基重氮盐也可以使用1转化为相应的芳基卤化物。该方法提供了一种简便的、一步法的程序,用于将芳烃转化为卤代芳烃,并且不伴随通常伴随使用卤化物进行桑迈尔反应的环境污染物。关键词:芳烃,卤代芳烃,卤二甲基亚砜卤化物,卤化,胺化。
  • Efficient and Regioselective Bromination of Aromatic Compounds with Ethylenebis(<i>N</i>-methylimidazolium) Ditribromide (EBMIDTB)
    作者:Rahman Hosseinzadeh、Mahmood Tajbakhsh、Maryam Mohadjerani、Zahra Lasemi
    DOI:10.1080/00397910903019975
    日期:2010.2.26
    A regioselective and highly efficient method for bromination of phenol and aniline derivatives using ethylenebis(N-methylimidazolium) ditribromide (EBMIDTB) as an efficient reagent in dichloromethane at ambient temperature is reported. The reagent can be recovered and reused several times.
    报告了一种区域选择性和高效的苯酚苯胺生物化方法,该方法使用亚乙基双(N-甲基咪唑鎓)二化物(EBMIDTB)作为室温下二氯甲烷中的有效试剂。试剂可多次回收和重复使用。
  • Lewis Acid-Promoted Synthesis of Unsymmetrical and Highly Functionalized Carbazoles and Dibenzofurans from Biaryl Triazenes: Application for the Total Synthesis of Clausine C, Clausine R, and Clauraila A
    作者:Weijun Yang、Jun Zhou、Binjie Wang、Hongjun Ren
    DOI:10.1002/chem.201102802
    日期:2011.12.2
    A natural approach: A Lewis acid‐promoted nucleophilic aromatic substitution approach to the regioselective synthesis of highly substituted carbazoles and dibenzofurans has been developed. The annulation process is applied to the total synthesis of carbazole alkaloids clausineC, clausineR, and clauraila A (see scheme).
    一种自然方法:已开发出一种路易斯酸促进的亲核芳族取代方法,用于高度取代的咔唑二苯并呋喃的区域选择性合成。环化工艺应用于咔唑生物碱克劳斯汀C,克劳斯汀R和克劳拉艾拉A的全合成(请参阅方案)。
  • COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES
    申请人:Van Goor Fredrick F.
    公开号:US20110098311A1
    公开(公告)日:2011-04-28
    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.
    本发明涉及包含上皮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。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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ir
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  • 峰位数据
  • 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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