正辛胺氢溴酸盐 | 14846-47-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 正辛胺氢溴酸盐
• 英文名称: octylammonium bromide
• 英文别名: n-octylammonium bromide；n-octylamine hydrobromide；octan-1-amine;hydrobromide
• CAS: 14846-47-0
• 化学式: Br*C₈H₂₀N
• 分子量: 210.157
• InChiKey: GIDDQKKGAYONOU-UHFFFAOYSA-N

物化性质

• 熔点：
  203-206 °C
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -1.41
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.6
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• WGK Germany：
  3
• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319
• 储存条件：
  存放于阴凉干燥处。

SDS

Name:	n-Octylamine hydrobromide 99% Material Safety Data Sheet
Synonym:
CAS:	14846-47-0

Section 1 - Chemical Product MSDS Name:n-Octylamine hydrobromide 99% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
14846-47-0	N-Octylamine hydrobromide, 99%	99%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
No information found. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation.
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:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear.
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 foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower.
Exposure Limits CAS# 14846-47-0: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
Respirators:
A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white to light beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 203 - 206 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: C8H19N.HBr
Molecular Weight: 210.16

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 14846-47-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Octylamine hydrobromide, 99% - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 14846-47-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 14846-47-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 14846-47-0 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：

  bismuth(III) bromide 、 正辛胺氢溴酸盐 以 乙醇 为溶剂， 以832.6 mg的产率得到
  参考文献：
  名称：

  一种新的有机-无机卤化铋晶体结构和带有长链烷基铵阳离子的量子点

  摘要：

  这里报道了一个新的有机-无机卤化铋族，其分子式为A 2 BiX 5，其中A为单价长链烷基铵，X为卤化物。通过单晶和粉末X合成并研究了两种化合物（BA）2 BiBr 5（BA：C 4 H 9 NH 3 +）和（OA）2 BiBr 5（OA：C 8 H 17 NH 3 +）。射线衍射，紫外可见吸收和荧光光谱以及密度泛函理论计算。P 2的正交晶体结构在（OA）2 BiBr 5单晶中发现了1 2 1 2 1的空间群，该空间群以前没有关于卤化有机铋的报道。除了块状材料，还制备了（BA）2 BiBr 5和（OA）2 BiBr 5的量子点（QD），并证明了它们是蓝色发射体，用油酸封端后其光致发光量子产率分别为1.26％和0.50％。最后，与各种I /溴的比率混合的卤化物制备并发现，以形成具有均匀的分布式I一定固溶体-和Br -。通过调节I / Br比，可以轻松调节其QD的吸收带和发射带。

  DOI：

  10.1016/j.orgel.2019.04.024
• 作为产物：
  描述：

  辛胺 在 氢溴酸 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 正辛胺氢溴酸盐
  参考文献：
  名称：

  一种新的有机-无机卤化铋晶体结构和带有长链烷基铵阳离子的量子点

  摘要：

  这里报道了一个新的有机-无机卤化铋族，其分子式为A 2 BiX 5，其中A为单价长链烷基铵，X为卤化物。通过单晶和粉末X合成并研究了两种化合物（BA）2 BiBr 5（BA：C 4 H 9 NH 3 +）和（OA）2 BiBr 5（OA：C 8 H 17 NH 3 +）。射线衍射，紫外可见吸收和荧光光谱以及密度泛函理论计算。P 2的正交晶体结构在（OA）2 BiBr 5单晶中发现了1 2 1 2 1的空间群，该空间群以前没有关于卤化有机铋的报道。除了块状材料，还制备了（BA）2 BiBr 5和（OA）2 BiBr 5的量子点（QD），并证明了它们是蓝色发射体，用油酸封端后其光致发光量子产率分别为1.26％和0.50％。最后，与各种I /溴的比率混合的卤化物制备并发现，以形成具有均匀的分布式I一定固溶体-和Br -。通过调节I / Br比，可以轻松调节其QD的吸收带和发射带。

  DOI：

  10.1016/j.orgel.2019.04.024
• 作为试剂：
  描述：

  甲胺氢溴酸盐 、 lead(II) bromide 在 lead oleate 、 正辛胺氢溴酸盐 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 methylammonium lead bromide
  参考文献：
  名称：

  以 Pb(C17H33COO)2 为唯一铅源的强荧光 CH3NH3PbBr3 钙钛矿纳米晶体的可控合成†

  摘要：

  有机金属卤化物钙钛矿纳米晶体由于其尺寸可调的带隙能量和光致发光以及出色的电子和空穴迁移率，在光伏、发光二极管、低阈值激光器和光电探测器中具有巨大的应用潜力。然而，这种纳米晶体的合成通常受到溶液中结构稳定性差以及层状纳米晶体（纳米片）和球形纳米晶体（纳米颗粒）共存的困扰。在这里，我们展示了 CH 3 NH 3 PbBr 3纳米晶体的纯纳米颗粒形态可以通过使用油酸铅 (Pb(C 17 H 33 COO) 2) 作为唯一的铅源并使用短链和长链混合烷基铵进行控制。这些纳米晶体是单分散的（直径为 2.2 ± 0.4 nm）、高度荧光（量子产率接近 85%），并且在溶液中高度稳定（超过 30 天）。比较研究表明，CH 3 NH 3 PbBr 3纳米晶体的形状强烈依赖于铅源 PbBr 2和 Pb(C 17 H 33 COO) 2，并且随着短链和长链比例的变化而变化前体中的烷基铵。在 4 : 6 的最佳短链与长链烷基铵比例下，CH

  DOI：

  10.1039/c7ra11832e

文献信息

• Ion-Pair Complexation with a Cavitand Receptor
  作者：Francesca Tancini、Thomas Gottschalk、W. Bernd Schweizer、François Diederich、Enrico Dalcanale

  DOI：10.1002/chem.201000573

  日期：——

  binding. Four additional phosphate moieties were introduced into the lower rim in close proximity to the anionic site to provide hydrogen‐bonding‐acceptor PO groups and promote cation complexation at the bottom of the cavitand. The binding ability of the synthesized ligands was analyzed by 1H NMR spectroscopy and, when possible, by isothermal titration calorimetry (ITC); the data were in agreement when

  间苯二酚在下缘的烷基脚内与阴离子结合的能力已被用作开发新型空泡的起点，该空泡能够吞噬缔合常数（K ass）在范围内的氯化铵中的铵离子接触离子对。10 3 –10 4  M -1。将亚甲基桥引入上缘，以使四氢呋喃向下的圆锥构象中的间苯二甲烯冻结质子在下部口袋中会聚，从而使负责阴离子结合的CH-阴离子相互作用最大化。在靠近阴离子位点的下部边缘引入了另外四个磷酸盐部分，以提供氢键受体PO基团并促进空洞底部的阳离子络合。合成的配体的结合能力通过1 H NMR光谱分析，并在可能的情况下通过等温滴定热分析（ITC）进行分析。当使用互补技术时，数据是一致的。
• Factors relating to the formation of N-alkyl-B-halogenoborazines
  作者：I.M. Butcher、W. Gerrard

  DOI：10.1016/0022-1902(65)80443-2

  日期：1965.4

  The formation of N-alkyl-B-halogenoborazines from alkylammonium halide and boron trihalide (R = Me, Et, Prn, Pri, Bun, Bus, Oct.n but not But), entails the immediate formation of the tetrahalogenoborate, RNH3+BX4−, followed by the 1:1 complex, RNH2BX3, ill-defined further intermediates, and then the borazine according to the b.p. of the solvent used. Residues indicated further polymerisation; but were

  的形成ñ -烷基-乙从烷基卤化铵和三卤化硼（R =甲基，乙基，镨-halogenoborazines Ñ，镨我，卜Ñ，卜小号10月Ñ但不卜吨），需要的立即形成tetrahalogenoborate，RNH 3 + BX 4 - ，接着是1：1的复合物，RNH 2 BX 3，边界不清进一步的中间体，并且根据所使用的溶剂的沸点，则环硼氮烷。残留物表明进一步聚合。但没有进行化学分析以外的调查。叔丁基系统得到化合物Bu tNHBCl 2 ; 但不是硼嗪。在三乙胺存在，所述胺系统，除了卜吨之一，仍然得到环硼氮烷，而B吨得到borazocine（BU系统吨NBCl）4。
• Chromium(II) chemistry. Part 14. Ferromagnetic and antiferomagnetic tetrabromochromates(II)
  作者：Musthtaq A. Babar、Leslie F. Larkworthy、Ahmad Yavari

  DOI：10.1039/dt9810000027

  日期：——

  tetrabromochromates(II) are antiferromagnetic. The reflectance spectra indicate tetragonal six-co-ordination of CrII and hence polymeric structures. Like the analogous tetrachlorochromates(II), the magnetic data for the ferromagnetic tetrabromochromates from liquid-nitrogen to room temperature can be reproduced by the high-temperature series-expansion formula for a sheet ferromagnet with S= 2, and JBr

  二水合铬（II）络合物溴化物M 2 [CrBr 4（OH 2）2 ]，其中M = Cs，Rb，NH 4或Hpy（py =吡啶），是磁性稀释的高自旋化合物。铵盐与类似的溴化铜（II）是同晶的，已知该溴化铜包含具有两个短和两个长Cu-Br键的反式-[CuBr 4（OH 2）2 ] 2-阴离子。哌嗪盐[H 2 pipz] 2 [CrBr 6 ]·2H 2 O和[H 2 pipz] 2[CrBr 6 ]和胍盐[C（NH 2）3 ] 2 [CrBr 4 ]·2MeCO 2 H也被磁稀释。它们的反射光谱与四边形扭曲的八面体阴离子一样。热脱水给出物M 2 [CrBr 4 ]，其中M = Cs的，RB，NH 4' NPhH 3'或HPY，但单烷基铵盐[NRH 3 ] 2 [CrBr 4 ]，其中R =甲基，乙基，镨n，Bu n，nC 5 H 11，nC 8 H 17'或nC 12 H 25' [NMe 2
• HIGHLY TUNABLE COLLOIDAL PEROVSKITE NANOPLATELETS
  申请人：MASSACHUSETTS INSTITUTE OF TECHNOLOGY

  公开号：US20170321117A1

  公开（公告）日：2017-11-09

  Colloidal perovskite nanoplatelets can provide a material platform, with tunability extending from the deep UV, across the visible, into the near-IR. The high degree of spectral tunability can be achieved through variation of the cation, metal, and halide composition as well as nanoplatelet thickness.

  胶体钙钛矿纳米片可以提供一个材料平台，其可调节性从深紫外线延伸至可见光，甚至到近红外线。通过改变阳离子、金属和卤素组成以及纳米片厚度，可以实现高度的光谱可调节性。
• [EN] PROCESS FOR THE PREPARATION OF (2S,4S,5S,7S)-N-(2-CARBAMYL-2- METHYLPROPYL)-5-AMINO-4-HYDROXY-2,7-DIISOPROPYL-8-[4-METHOXY-3-(3- METHOXYPROPOXY)PHENYL]-OCTANAMIDE HEMIFUMARATE AND ITS INTERMEDIATES THEREOF<br/>[FR] PROCÉDÉ POUR PRÉPARER UN HÉMIFUMARATE DU COMPOSÉ (2S,4S,5S,7S)-N-(2-CARBAMOYL-2- MÉTHYLPROPYL)-5-AMINO-4-HYDROXY-2,7-DIISOPROPYL-8-[4-MÉTHOXY-3-(3- MÉTHOXYPROPOXY)PHÉNYL]-OCTANAMIDE ET PRODUITS INTERMÉDIAIRES CORRESPONDANTS
  申请人：MSN LAB LTD

  公开号：WO2011148392A1

  公开（公告）日：2011-12-01

  The present invention relates to a process for the preparation of (2S,4S,5S,7S)-N-(2- Carbamoyl-2-methylpropyl)-5-amino-4-hydroxy-2,7-diisopropyl-8-[4-methoxy-3-(3-methoxy propoxy )phenyl]-octanamide compound of formula- 1 and its pharmaceutically acceptable salts thereof. Further, relates to the processes for the preparation of (R)-4-(2-(halomethyl)-3- methylbutyl)-l-methoxy-2-(3-methoxypropoxy) benzene and (R)-2-(4-methoxy-3-(3-methoxy propoxy) benzyl)-3-methyIbutan-l-ol useful intermediates in the synthesis of compound of formula- 1.

  本发明涉及一种制备（2S,4S,5S,7S）-N-(2-羰基-2-甲基丙基)-5-氨基-4-羟基-2,7-二异丙基-8-[4-甲氧基-3-(3-甲氧基丙氧基)苯基]-辛酰胺化合物的方法，其化学式为1，以及其在药学上可接受的盐。此外，涉及制备(R)-4-(2-(卤甲基)-3-甲基丁基)-1-甲氧基-2-(3-甲氧基丙氧基)苯和(R)-2-(4-甲氧基-3-(3-甲氧基丙氧基)苄基)-3-甲基丁醇的方法，这些是化合物1合成中有用的中间体。