4-丁氧基-2-硝基苯胺 | 3987-86-8

• 物质功能分类: 化学试剂 - 有机试剂 - 硝基化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-丁氧基-2-硝基苯胺
• 英文名称: 1-amino-4-n-butoxy-2-nitrobenzene
• 英文别名: 4-n-butoxy-2-nitroaniline；4-butoxy-2-nitro-aniline；2-Nitro-4-butyloxy-anilin；4-Butoxy-2-nitro-anilin；4-Butoxy-2-nitroaniline
• CAS: 3987-86-8
• 化学式: C₁₀H₁₄N₂O₃
• mdl: MFCD00722197
• 分子量: 210.233
• InChiKey: BBELMWNCSCNWAO-UHFFFAOYSA-N

物化性质

• 熔点：
  64-66 °C
• 沸点：
  389.75°C (rough estimate)
• 密度：
  1.1756 (estimate)
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与不相容的材料接触。

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  81.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S36/37
• 危险类别码：
  R20/21/22
• 海关编码：
  2922299090

SDS

Name:	4-Butoxy-2-nitroaniline 99% Material Safety Data Sheet
Synonym:
CAS:	3987-86-8

Section 1 - Chemical Product MSDS Name:4-Butoxy-2-nitroaniline 99% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
3987-86-8	4-Butoxy-2-nitroaniline	99%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
Not available.

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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.
Ingestion:
Get medical aid. Wash mouth out with 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:

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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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 3987-86-8: Personal Protective Equipment Eyes: Not available.
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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: red
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 66 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 210.23

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 3987-86-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Butoxy-2-nitroaniline - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 3987-86-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3987-86-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3987-86-8 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-丁氧基-2-硝基苯胺 在 盐酸 、 溶剂黄146 作用下， 以 氯仿 、 邻二甲苯 为溶剂， 生成 2-(2-Nitro-4-butoxyphenylamino)-benzothiazole
  参考文献：
  名称：

  Pande, Anil; Lokhande, S. R.; Patel, Madhuben R., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1983, vol. 22, # 3, p. 311 - 312

  摘要：

  DOI：
• 作为产物：
  描述：

  4-丁氧基乙酰苯胺 在 盐酸 、 水 、 硝酸 、 溶剂黄146 作用下， 生成 4-丁氧基-2-硝基苯胺
  参考文献：
  名称：

  274.尝试寻找新的抗疟药。第八部分。8-氨基烷基氨基喹啉的衍生物

  摘要：

  DOI：

  10.1039/jr9340001264

文献信息

• 5(6)-Benzene ring substituted benzimidazole-2-carbamate derivatives
  申请人：Syntex (U.S.A.) Inc.

  公开号：US04072696A1

  公开（公告）日：1978-02-07

  Carbalkoxythioureidobenzene derivatives represented by the following formula: ##STR1## where R is a lower alkyl group having 1 to 4 carbon atoms; R.sup.1 is --SR.sup.2, --SOR.sup.2, --SO.sub.2 R.sup.2, --OR.sup.2, --SCN, --SC(O)NR.sup.3 R.sup.4, or --M'(CH.sub.2).sub.n MR.sup.7 where n is 1-4; R.sup.2 is lower alkyl having 1 to 6 carbon atoms, cycloalkyl having 3 to 7 carbon atoms, lower alkenyl or lower alkynyl having 3 to 6 carbon atoms, aralkyl or aryl, provided that when R.sup.1 is --SO.sub.2 R.sup.2, R.sup.2 is not aralkyl or phenyl; R.sup.3 and R.sup.4 are independently hydrogen or lower alkyl having 1 to 6 carbon atoms; Y is amino, nitro, acylamino where the acyl portion has 1 to 6 carbon atoms, --NHC(O) (CH.sub.2).sub.m COOH where m is 1-6, or --NHC(S)NHCOOR; M and M' are independently O, S or ##STR2## and R.sup.7 is lower alkyl having 1 to 4 carbon atoms or aryl. The R.sup.1 substitution is either at the 4- or 5-position. The compounds are useful as pesticides, particularly as anthelmintic and antifungal agents.

  以下式表示的Carbalkoxythioureidobenzene衍生物：##STR1## 其中R是1至4个碳原子的较低烷基；R.sup.1是--SR.sup.2，--SOR.sup.2，--SO.sub.2 R.sup.2，--OR.sup.2，--SCN，--SC（O）NR.sup.3 R.sup.4或--M'（CH.sub.2）.sub.n MR.sup.7，其中n为1-4；R.sup.2是具有1至6个碳原子的较低烷基，具有3至7个碳原子的环烷基，具有3至6个碳原子的较低烯基或较低炔基，或芳基烷基或芳基，但当R.sup.1为--SO.sub.2 R.sup.2时，R.sup.2不是芳基烷基或苯基；R.sup.3和R.sup.4分别是氢或具有1至6个碳原子的较低烷基；Y是氨基，硝基，酰胺基，其中酰基部分具有1至6个碳原子，--NHC（O）（CH.sub.2）.sub.m COOH，其中m为1-6，或--NHC（S）NHCOOR；M和M'分别是O，S或##STR2##，R.sup.7是具有1至4个碳原子的较低烷基或芳基。 R.sup.1取代基位于4-或5-位置。这些化合物可用作杀虫剂，特别是作为驱虫剂和抗真菌剂。
• [EN] BENZIMIDAZOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER OR INFECTIOUS DISEASES CONTAINING SAME AS ACTIVE INGREDIENT<br/>[FR] DÉRIVÉ DE BENZIMIDAZOLE, SON PROCÉDÉ DE PRÉPARATION ET COMPOSITION PHARMACEUTIQUE POUR LA PRÉVENTION OU LE TRAITEMENT DU CANCER OU DE MALADIES INFECTIEUSES LE CONTENANT EN TANT QUE PRINCIPE ACTIF<br/>[KO] 벤즈이미다졸 유도체, 이의 제조방법 및 이를 유효성분으로 함유하는 암 또는 감염증의 예방 또는 치료용 약학적 조성물
  申请人：KOREA RES INST CHEMICAL TECH

  公开号：WO2023239007A1

  公开（公告）日：2023-12-14

  본 발명은 벤즈이미다졸 유도체, 이의 제조방법 및 이를 유효성분으로 함유하는 암 또는 감염증의 예방 또는 치료용 약학적 조성물에 관한 것으로, 본 명세서에 기재된 화학식 1로 표시되는 화합물은 암 세포주에 대한 우수한 억제 효과 및 기생충의 침입 및 감염 억제 효과를 나타내어 암 및 기생충 감염증 치료제로서 유용할 것으로 기대된다.

  本发明涉及苯并咪唑衍生物、其制备方法以及以其为活性成分的预防或治疗癌症或传染性疾病的药物组合物。本文所述的式 1 所代表的化合物有望作为癌症和寄生虫感染的治疗药物，因为它们对癌细胞系具有良好的抑制作用，并能抑制寄生虫的入侵和感染。
• 2-(2-Hydroxy-3.5-disubstituiertes-phenyl)-2H-benzotriazol und damit stabilisierte Mischungen
  申请人：CIBA-GEIGY AG

  公开号：EP0006564A2

  公开（公告）日：1980-01-09

  Verbindungen der Formel worin T, Wasserstoff oder Chlor ist, T2 und T3 unabhängig voneinander die Gruppe bedeuten, worin T4 Wasserstoff oder niedriges Alkyl ist, wobei eines von T2 und T3 auch t-Octyl sein kann, als Lichtschutzmittel für organisches Material, Verfahren zu ihrer Herstellung, das mit ihnen ausgerüstete organische Material, insbesondere mit ihnen ausgerüsteter Lack.

  式中 T 为氢或氯，T2 和 T3 相互独立地为 T4 为氢或低级烷基的基团，T2 和 T3 中也可以有一个是 t-辛基，作为有机材料的光稳定剂，其制备工艺，用其处理的有机材料，特别是用其处理的漆。
• Verfahren zur Herstellung von Acetoacetylarylamiden bzw. -heteroarylamiden desaktivierter Aromaten
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0280156A2

  公开（公告）日：1988-08-31

  Verfahren zur Herstellung von Acetoacetylarylamiden bzw. -heteroarylamiden desaktivierter Aromaten bzw. Heteroaromaten, indem man 1 Mol eines Amins der Formel in welcher X und Y je CH bedeuten oder eines der beiden Ringglieder X und Y ein Stickstoffatom darstellt, R ein Wasserstoff- oder Halogenatom, eine Alkyl-, β-Hydroxyethyl-, Benzyl- oder ggfs. substituierte Phenylgruppe und A einen annellierten Benzolring bedeuten, wobei der isocyclische bzw. heterocyclische Sechsring durch 1 oder 2 weitere Substituenten substituiert ist und der Benzolring A durch 1 bis 3 Substituenten substituiert sein kann, mit 1 bis 1,2 Mol Diketen bei Temperaturen von 20 bis 100°C in Eisessig in Gegenwart von 1 bis 20 Molprozent eines basischen Katalysators, wie tertiäres Amin, Fluorid, Acetat, Trifluormethansulfonat, Trifluoracetat, Benzoat, o-, m-, p-AlkylC₁-C₄ benzoat, o-, m-, p-AlkoxyC₁-C₄ benzoat oder o-, m-, p-Di(alkylC₁-C₄ amino)-benzoat, bezogen auf das Amin, umsetzt, wobei der Substituent -H in die Gruppe --CO-CH₂-CO-CH₃ überführt wird.

  分别通过使 1 摩尔式胺反应制备失活芳香族或杂芳香族的乙酰乙酰芳酰胺或-杂芳酰胺的方法 其中 X 和 Y 分别代表 CH 或两个环成员 X 和 Y 中的一个代表氮原子，R 代表氢原子或卤素原子、烷基、β-羟乙基、苄基或任选取代的苯基，A 代表融合苯环、异环或杂环的六元环。用 1 至 1.2 摩尔二乙烯，在 20 至 100°C 的冰醋酸中，在 1 至 20 摩尔%的碱性催化剂存在下，在 20 至 100°C 的温度下进行反应、例如叔胺、氟化物、乙酸盐、三氟甲磺酸盐、三氟乙酸盐、苯甲酸盐、邻、间、对烷基 C₁-C₄ 苯甲酸盐、邻、间、对烷氧基 C₁-C₄ 苯甲酸盐或邻、间、对二(烷基 C₁-C₄ 氨基)-苯甲酸盐，基于以下条件 其中取代基 -H 属于以下基团 --CO-CH₂-CO-CH₃转换。
• NPYY5 antagonists
  申请人：Shionogi&Co., Ltd.

  公开号：EP2014285A1

  公开（公告）日：2009-01-14

  The present invention provides a pharmaceutical composition for use as an NPY Y5 receptor antagonist comprising a compound of the formula (I): wherein R1 is lower alkyl, cycloalkyl or the like, R2 is hydrogen, lower alkyl or the like, n is 1 or 2, X is lower alkylene, lower alkenylene, arylene, cycloalkylene or the like, Y is CONR7, CSNR7, NR7CO, NR7CS or the like, Z is lower alkyl, optionally substituted carbocyclyl, optionally substituted heterocyclyl or the like and R7 is hydrogen or lower alkyl, prodrug, pharmaceutically acceptable salt or solvate thereof

  本发明提供了一种用作 NPY Y5 受体拮抗剂的药物组合物，该组合物由式（I）化合物组成： 其中 R1 是低级烷基、环烷基或类似物、 R2 是氢、低级烷基或类似物、 n 是 1 或 2、 X 是低级烯烃、低级烯烃、芳基、环烷烃或类似物、 Y 是 CONR7、CSNR7、NR7CO、NR7CS 或类似物、 Z 是低级烷基、任选取代的碳环烷基、任选取代的杂环烷基或类似物，R7 是氢或低级烷基、 其原药、药学上可接受的盐或溶液