4-癸基苯胺 | 37529-30-9

• 物质功能分类: 有机原料 - 氨基化合物 - 环烷胺、芳香单胺、芳香多胺及其衍生物和盐
• 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-癸基苯胺
• 中文别名: 4-正癸基苯胺
• 英文名称: 4-n-decylaniline
• 英文别名: 4-Decylaniline；p-decylaniline；4-decylbenzenamine
• CAS: 37529-30-9
• 化学式: C₁₆H₂₇N
• mdl: MFCD00007918
• 分子量: 233.397
• InChiKey: WGENWPANMZLPIH-UHFFFAOYSA-N

物化性质

• 熔点：
  25 °C (lit.)
• 沸点：
  218-220 °C/14 mmHg (lit.)
• 密度：
  0.8952 (estimate)
• 闪点：
  >230 °F
• 稳定性/保质期：

  常规情况下不会分解，也没有危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  17
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.625
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2921420090
• 储存条件：
  密封、阴凉、干燥保存。

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 4-Decylaniline
CAS-No. : 37529-30-9
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Acute aquatic toxicity (Category 1)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Irritating to eyes, respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
H400 Very toxic to aquatic life.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P273 Avoid release to the environment.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S37/39 Wear suitable gloves and eye/face protection.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C16H27N
Molecular Weight : 233,39 g/mol
Component Concentration
4-Decylaniline
CAS-No. 37529-30-9 -
EC-No. 253-546-9

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Evacuate personnel to safe areas.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Normal measures for preventive fire protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Specific end use(s)
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: liquid
Colour: light orange
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 25 °C - lit.
point
f) Initial boiling point and 218 - 220 °C at 19 hPa - lit.
boiling range
g) Flash point 113 °C - closed cup
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents, Strong acids, Acid chlorides, Acid anhydrides
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
Toxicity to fish LC50 - Pimephales promelas (fathead minnow) - 0,063 mg/l - 96 h
Toxicity to daphnia and EC50 - Daphnia magna (Water flea) - 0,0084 mg/l - 48 h
other aquatic
invertebrates
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
Very toxic to aquatic life.
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: 3082 IMDG: 3082 IATA: 3082
UN proper shipping name
ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (4-Decylaniline)
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. (4-Decylaniline)
IATA: Environmentally hazardous substance, liquid, n.o.s. (4-Decylaniline)
Transport hazard class(es)
ADR/RID: 9 IMDG: 9 IATA: 9
Packaging group
ADR/RID: III IMDG: III IATA: III
Environmental hazards
ADR/RID: yes IMDG Marine Pollutant: yes IATA: yes
Special precautions for user
Further information
EHS-Mark required (ADR 2.2.9.1.10, IMDG code 2.10.3) for single packagings and combination
packagings containing inner packagings with Dangerous Goods > 5L for liquids or > 5kg for solids.

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Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

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Section 16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  4-癸基苯胺 在 盐酸 、 calcium carbonate 、 benzyl triethylammonium dichloroiodate 、 sodium nitrite 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 二氯甲烷 、 乙腈 为溶剂， 反应 4.0h， 生成 N,N-Diethyl-N'-(4-decyl-2-iodophenyl)triazene
  参考文献：
  名称：

  膨胀石墨二炔亚结构的合成

  摘要：

  Graphdiyne（1）是一个有趣且潜在重要的碳同素异形体新家族的成员。本文报道的是模型子结构2-6的合成和光谱表征。大环通过合适的α，ω-聚炔的分子内环化制备。该方法成功的关键是利用反应性苯基丁二炔合成子进行原位丙二甲硅烷基化/炔基化反应。迄今为止，这种新方法可以制备石墨二炔网络中最大，最完整的子结构（3-6）。

  DOI：

  10.1002/1521-3765(20000602)6:11<2044::aid-chem2044>3.0.co;2-y
• 作为产物：
  描述：

  癸基苯 在 aluminum (III) chloride 、 乙酰氯 作用下， 生成 4-癸基苯胺
  参考文献：
  名称：

  Liquid-Crystalline Polymorphism of Symmetrical Azobananas: bis(4-(4-alkylphenyl)azophenyl) 2-nitroisophtalates

  摘要：

  In this paper we present a series of novel compounds, bis(4-(4-alkylphenyl)azophenyl) 2-nitroisophtalates, which exhibit nematic and banana-type liquid-crystalline phases. The alkyl chain length varies from 1 to 18 carbons. The first ten members of this series exhibit nematic phase. The last eleven compounds exhibit banana-type liquid crystalline phases. The propyl and pentyl derivatives have extra second type of banana mesophase.

  DOI：

  10.1080/15421400903065754

文献信息

• Process for preparing 1,2,4-benzotriazine oxides
  申请人：S R I International

  公开号：US05175287A1

  公开（公告）日：1992-12-29

  A method of using 1,2,4-benzotriazine oxides, some of which are novel compounds, as radiosensitizers and selective cytotoxic agents is disclosed. These compounds are shown to specifically radiosensitize hypoxic tumor cells. Some are additionally disclosed to be useful as specific cytotoxic agents for these cells. They also show an unexpected ability to radiosensitize aerobic cells following or preceding a hypoxic incubation of the cells with the drug. This provides a basis for selective radiosensitization of tumors compared to normal cells. A novel method for preparing the 1,2,4-benzotriazine oxides is also disclosed.

  使用1,2,4-苯并三氮唑氧化物的方法，其中一些是新颖的化合物，作为放射增敏剂和选择性细胞毒性剂的方法被揭示。这些化合物被证明能够特异性地增敏缺氧肿瘤细胞。其中一些还被揭示为这些细胞的特异性细胞毒性剂。它们还表现出在用药物处理细胞之前或之后的缺氧培养后，对好氧细胞具有意外的增敏能力。这为相对于正常细胞的肿瘤选择性增敏提供了基础。还揭示了一种制备1,2,4-苯并三氮唑氧化物的新方法。
• Antimitotic Antitumor Agents: Synthesis, Structure−Activity Relationships, and Biological Characterization of <i>N</i>-Aryl-<i>N</i>‘-(2-chloroethyl)ureas as New Selective Alkylating Agents
  作者：Emmanuelle Mounetou、Jean Legault、Jacques Lacroix、René C-Gaudreault

  DOI：10.1021/jm0010264

  日期：2001.3.1

  series of N-aryl-N'-(2-chloroethyl)ureas (CEUs) and derivatives were synthesized and evaluated for antiproliferative activity against a wide panel of tumor cell lines. Systematic structure--activity relationship (SAR) studies indicated that: (i) a branched alkyl chain or a halogen at the 4-position of the phenyl ring or a fluorenyl/indanyl group, (ii) an exocyclic urea function, and (iii) a N'-2-chloroethyl

  合成了一系列的N-芳基-N'-（2-氯乙基）脲（CEU）及其衍生物，并评估了其对多种肿瘤细胞系的抗增殖活性。系统结构-活性关系（SAR）研究表明：（i）苯环或芴基/茚满基4位上的支链烷基链或卤素，（ii）外环脲官能团，和（iii） ）需要N'-2-氯乙基部分以确保明显的细胞毒性。诸如免疫荧光显微镜等生物学实验证实，这些有前途的化合物通过β-微管蛋白的选择性烷基化诱导微管解聚，从而改变了细胞骨架。随后的评估表明，有效的CEU是弱烷基化剂，是非DNA破坏剂，并且不与谷胱甘肽或谷胱甘肽还原酶的硫醇功能相互作用。因此，CEU是新型抗有丝分裂剂的一部分。最后，在评估的一系列CEU中，选择了化合物12、15、16和27用于进一步的体内试验。
• Synthesis of Functionalized Diaryldiazenes by Formal [3+3] Cyclizations of 1,3-Bis(silyloxy)-1,3-butadienes with 2-Aryldiazenyl-3-silyloxy-2-en-1- ones
  作者：Jennifer Hefner、Simone Ladzik、Martin Hein、Manuela Harms、Michael Lalk、Nazken Kelzhanova、Amanzhan T. Saginayev、Qamar Rahman、Alexander Villinger、Christine Fischer、Peter Langer

  DOI：10.5560/znb.2014-3198

  日期：2014.8.1

  The formal [3+3] cyclization of 1,3-bis(silyloxy)-1,3-butadienes with 2-aryldiazenyl-3-silyloxy- 2-en-1-ones afforded a variety of functionalized diaryl-diazenes.

  1,3-双（硅烷氧基）-1,3-丁二烯与 2-芳基偶氮-3-硅烷氧基-2-烯-1-酮的正式[3+3]环化反应产生了多种官能化二芳基偶氮。
• Method of treating a mammal having a solid tumor susceptible to
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US05484612A1

  公开（公告）日：1996-01-16

  A method of treating a mammal having a solid tumor susceptible to treatment with cisplatin comprising: administering to the mammal an effective amount of 3-amino-1,2,4-benzotriazine 1,4-dioxide; and administering to the mammal an effective amount of cisplatin about 0.5 to about five hours after administration of the 3-amino-1,2,4-benzotriazine 1,4-dioxide.

  治疗患有对顺铂治疗敏感的实体肿瘤的哺乳动物的方法包括：向哺乳动物施用有效量的3-氨基-1,2,4-苯并三氮唑-1,4-二氧化物；并在向哺乳动物施用3-氨基-1,2,4-苯并三氮唑-1,4-二氧化物后约0.5至约五小时内向哺乳动物施用有效量的顺铂。
• 由桥接二噻唑共聚物制备的半导体材料
  申请人：巴斯夫欧洲公司

  公开号：CN103052643B

  公开（公告）日：2016-03-09

  本发明提供了式 的半导体化合物、低聚物和聚合物，其中A 1 和A 2 可以相同或不同且为S或Se，E选自 。式(1)的化合物、低聚物和聚合物适合用于电子器件如有机场效应晶体管中。

表征谱图