2-氯-6-甲氧基氰苯 | 6575-10-6

• 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: 2-氯-6-甲氧基氰苯
• 中文别名: 2-氯-6-甲氧基苯甲腈
• 英文名称: 2-Chlor-6-methoxybenzoesaeurenitril
• 英文别名: 2-chloro-6-methoxybenzonitrile；2-chloro-6-methoxy-benzonitrile；2-Chlor-6-methoxy-benzonitril；3-Chlor-2-cyan-anisol；2-methoxy-6-chlorobenzonitrile
• CAS: 6575-10-6
• 化学式: C₈H₆ClNO
• mdl: MFCD00019743
• 分子量: 167.595
• InChiKey: YRGCKBHUZNQXEL-UHFFFAOYSA-N

物化性质

• 熔点：
  98-100°C
• 沸点：
  294.7±20.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿、乙酸乙酯

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

SDS

Name:	2-Chloro-6-methoxybenzonitrile 97% Material Safety Data Sheet
Synonym:
CAS:	6575-10-6

Section 1 - Chemical Product MSDS Name:2-Chloro-6-methoxybenzonitrile 97% Material Safety Data Sheet
Synonym:

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
6575-10-6	2-Chloro-6-methoxybenzonitrile, 97%	97	229-500-9

Hazard Symbols: XN
Risk Phrases: 20/21/22

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Appearance: very slightly beige needle like crystalline Target Organs: None.
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.

---

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.
Skin:
Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

---

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:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal.

---

Section 7 - HANDLING and STORAGE
Handling:
Not available.
Storage:
Not available.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits +--------------------+-------------------+-------------------+-----------------+ | Chemical Name | ACGIH | NIOSH |OSHA - Final PELs| |--------------------|-------------------|-------------------|-----------------| | 2-Chloro-6-methoxyb|none listed |none listed |none listed | | enzonitrile, 97% | | | | +--------------------+-------------------+-------------------+-----------------+ OSHA Vacated PELs: 2-Chloro-6-methoxybenzonitrile, 97%: No OSHA Vacated PELs are listed for this chemical.
Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Not available.
Respirators:
Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Not available.
Appearance: very slightly beige
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 113.00 - 115.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
NFPA Rating: Not published.
Explosion Limits, Lower: Not available.
Upper: Not available.
Decomposition Temperature:
Solubility:
Specific Gravity/Density:
Molecular Formula: C8H6ClNO
Molecular Weight: 167.59

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Not available.
Hazardous Polymerization: Has not been reported.

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 6575-10-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Chloro-6-methoxybenzonitrile, 97% - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
See actual entry in RTECS for complete information.

---

Section 12 - ECOLOGICAL INFORMATION

---

Section 13 - DISPOSAL CONSIDERATIONS
Chemical waste generators must determine whether a discarded chemical is classif as a hazardous waste.
US EPA guidelines for the classification determination are listed in 40 CFR Part Additionally, waste generators must consult state and local hazardous waste regu ensure complete and accurate classification.
RCRA P-Series: None listed.
RCRA U-Series: None listed.

---

Section 14 - TRANSPORT INFORMATION

CDG/CPL
Not classified as hazardous for supply.
Canadian TDG
No information available.

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 6575-10-6: No information available.
United Kingdom Occupational Exposure Limits
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
WHMIS: Not available.
CAS# 6575-10-6 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
US FEDERAL
TSCA
CAS# 6575-10-6 is not listed on the TSCA inventory.
It is for research and development use only.
Health & Safety Reporting List
None of the chemicals are on the Health & Safety Reporting List.
Chemical Test Rules
None of the chemicals in this product are under a Chemical Test Rule.
Section 12b
None of the chemicals are listed under TSCA Section 12b.
TSCA Significant New Use Rule
None of the chemicals in this material have a SNUR under TSCA.
SARA
Section 302 (RQ)
None of the chemicals in this material have an RQ.
Section 302 (TPQ)
None of the chemicals in this product have a TPQ.
Section 313
No chemicals are reportable under Section 313.
Clean Air Act:
This material does not contain any hazardous air pollutants.
This material does not contain any Class 1 Ozone depletors.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-氯-6-甲氧基氰苯 在 三溴化硼 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 27.0h， 生成 1-(2-氯-6-羟基苯基)乙酮
  参考文献：
  名称：

  Chromenones as potent bradykinin B1 antagonists

  摘要：

  A series of fused 6,6-bicyclic chromenones was investigated for activity against the bradykinin B1 receptor. SAR studies based on a pharmacophore model revealed compounds with high affinity for both human and rabbit B1. These compounds demonstrated favorable pharmacokinetic properties and 5-chlorochromenone 15 was efficacious in a carrageenan-induced mechanical hyperalgesia model for chronic pain. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.068
• 作为产物：
  描述：

  2-氯-6-甲氧基苯胺 生成 2-氯-6-甲氧基氰苯
  参考文献：
  名称：

  Phase Evolution During Sintering of Mullite/zirconia Composites Using Silica-coated Alumina Powders

  摘要：

  莫来石基复合材料可通过使用硅包覆氧化铝（SCA）粉末作为莫来石前驱体的原位反应过程制成。本文介绍了氧化锆和莫来石种子对结晶过程和微观结构发展的综合影响。在不添加锆石种子的情况下，莫来石的形成是通过瞬态锆石的形成进行的。这一阶段为莫来石成核提供了较低的能量障碍，从而降低了莫来石化温度。氧化锆中作为稳定剂的钇的存在降低了锆石形成的活化能，从而促进了瞬态反应。添加前莫来石种子会导致氧化铝和二氧化硅形成莫来石晶核，而锆石不会形成。在低添加量时，莫来石化仍受成核控制；但一旦添加量超过 1-2%，情况就不再如此。

  DOI：

  10.1557/jmr.2000.0198

文献信息

• [EN] TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE TRIAZOLOPYRIDINE ET LEURS UTILISATIONS
  申请人：NOVARTIS AG

  公开号：WO2017221092A1

  公开（公告）日：2017-12-28

  A compound of Formula (IA), or a pharmaceutically acceptable salt thereof, is provided that has been shown to be useful for treating a PRC2-mediated disease or disorder: wherein A, R6, R7 and R8 are as defined herein.

  提供了一种具有公式（IA）的化合物，或其药用可接受的盐，已被证明可用于治疗PRC2介导的疾病或紊乱：其中A，R6，R7和R8如本文所定义。
• Exploiting Imine Photochemistry for Masked N‐Centered Radical Reactivity
  作者：Daryl Staveness、James L. Collins、Rory C. McAtee、Corey R. J. Stephenson

  DOI：10.1002/anie.201909492

  日期：2019.12.19

  development of a masked N-centered radical strategy that harvests the energy of light to drive the conversion of cyclopropylimines to 1-aminonorbornanes. This process employs the N-centered radical character of a photoexcited imine to facilitate the homolytic fragmentation of the cyclopropane ring and the subsequent radical cyclization sequence that forms two new C-C bonds en route to the norbornane core. Achieving

  该报告详细介绍了一种以N为中心的掩盖自由基策略的发展，该策略可收集光能以驱动环丙基亚胺转化为1-氨基降冰片烷。该方法利用了光激发的亚胺的以N为中心的自由基特征，以促进环丙烷环的均相裂解，以及随后的自由基环化序列，该序列在到达降冰片烷核的途中形成两个新的CC键。实现形成键的反应性是受激态席夫碱的N中心自由基特性的函数，在这种情况下仅需要紫光即可。这种方法以连续不断的方式运作，从而增强了翻译超出学术领域的潜力。
• Palladium(II)-Catalyzed Synthesis of the Formylcarbazole Alkaloids Murrayaline A-C, 7-Methoxymukonal, and 7-Methoxy-<i>O</i>-methylmukonal
  作者：Ronny Hesse、Micha P. Krahl、Anne Jäger、Olga Kataeva、Arndt W. Schmidt、Hans-Joachim Knölker

  DOI：10.1002/ejoc.201402201

  日期：2014.7

  We describe the synthesis of the naturally occurring 2,7-dioxygenated formylcarbazole alkaloids 7-methoxymukonal, 7-methoxy-O-methylmukonal, and the murrayalines A–C. The carbazole framework was constructed by a Buchwald–Hartwig amination and a subsequent palladium(II)-catalyzed oxidative cyclization.

  我们描述了天然存在的 2,7-双氧合甲酰咔唑生物碱 7-甲氧基 mukonal、7-甲氧基-O-methylmukonal 和 murrayalines A-C 的合成。咔唑骨架是通过 Buchwald-Hartwig 胺化和随后的钯（II）催化氧化环化构建的。
• Calcilytic compounds
  申请人：SmithKline Beecham Corporation

  公开号：US06294531B1

  公开（公告）日：2001-09-25

  Novel arylalkylamino compounds exhibiting calcilytic properties are provided.

  提供了展示钙离子受体拮抗性质的新型芳基烷基胺化合物。
• [EN] TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS<br/>[FR] ANTAGONISTES ALPHA-1-ADRENERGIQUES D'HEXAHYDROBENZEISOINDOL TRICYCLIQUE SUBSTITUE
  申请人：ABBOTT LABORATORIES

  公开号：WO1996022992A1

  公开（公告）日：1996-08-01

  (EN) The present invention relates to a compound of formula (I) and the pharmaceutically acceptable salts thereof wherein W is a tricyclic heterocyclic ring system; which is an $g(a)-1 adrenergic antagonist and is useful in the treatment of BPH; also disclosed are $g(a)-1 antagonist compositions and a method for antagonizing $g(a)-1 receptors and treating BPH.(FR) La présente invention concerne un composé, ainsi que ses sels acceptables sur le plan pharmaceutique, correspondant à la formule (I) où W est un système de noyau hétérocyclique tricyclique. Ce composé est un antagoniste $g(a)-1 adrénergique utile dans le traitement de l'hyperplasie prostatique bénigne. Cette invention concerne également des compositions à base d'antagoniste $g(a)-1 ainsi qu'un procédé visant à rendre antagonistes des récepteurs $g(a)-1, et utilisé dans le traitement de l'hyperplasie prostatique bénigne.

  本发明涉及化合物(I)及其在药学上可接受的盐，其中W是三环杂环环系统；该化合物是$g(a)-1肾上腺素受体拮抗剂，用于治疗BPH；此外还揭示了$g(a)-1拮抗剂组合物以及拮抗$g(a)-1受体和治疗BPH的方法。

表征谱图