1-(2,4-二氯苯基)-1-环丙甲腈 | 71463-55-3

• 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: 1-(2,4-二氯苯基)-1-环丙甲腈
• 中文别名: 1-(2,4-二氯苯基)-1-环丙基丁酯；1-(2,4-二氯苯基)环丙烷甲腈
• 英文名称: 1-(2,4-dichloro-phenyl)-cyclopropanecarbonitrile
• 英文别名: 1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile；1-(2,4-Dichlorophenyl)cyclopropanecarbonitrile
• CAS: 71463-55-3
• 化学式: C₁₀H₇Cl₂N
• 分子量: 212.078
• InChiKey: VDKKBWVLLSVWKI-UHFFFAOYSA-N

物化性质

• 熔点：
  81-85 °C
• 沸点：
  344.5°C (rough estimate)
• 密度：
  1.3612 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  T
• 安全说明：
  S23,S24/25
• 危险类别码：
  R23/24/25
• 海关编码：
  2926909090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Name:	1-(2 4-Dichlorophenyl)-1-Cyclopropyl Cyanide Material Safety Data Sheet
Synonym:	None
CAS:	71463-55-3

Section 1 - Chemical Product MSDS Name:1-(2 4-Dichlorophenyl)-1-Cyclopropyl Cyanide Material Safety Data Sheet
Synonym:None

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
71463-55-3	1-(2,4-Dichlorophenyl)-1-Cyclopropyl C	ca 100	275-494-6

Hazard Symbols: T
Risk Phrases: 23/24/25

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Contains cyanide. Large doses of cyanide may result in suddden loss of consciousness and prompt death; small doses will prolong the above symptoms 1 to 2 hours.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Contains cyanide.
Inhalation may result in symptoms similar to cyanide poisoning which include tachypnea, hyperpnea (abnormally rapid or deep breathing), and dyspnea (labored breathing) followed rapidly by respiratory depression. Pulmonary edema may occur.
Chronic:
No information found.

---

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:

---

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Avoid runoff into storm sewers and ditches which lead to waterways.
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 71463-55-3: United States OSHA: 5 mg/m3 TWA (listed under Cyanide anion).
Germany: (listed as cyanide anion): Skin absorber Netherlands: (listed as cyanide anion): 5 mg/m3 MAC (as CN) Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: light yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 81-85 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: C10H7Cl2N
Molecular Weight: 212.08

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 71463-55-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(2,4-Dichlorophenyl)-1-Cyclopropyl Cyanide - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

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

---

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
Safety Phrases:
S 23 Do not inhale gas/fumes/vapour/spray.
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 71463-55-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 71463-55-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 71463-55-3 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-(2,4-二氯苯基)-1-环丙甲腈 在 盐酸羟胺 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 9.5h， 生成 1-[1-(2,4-dichlorophenyl)cyclopropyl]ethanoneoxime
  参考文献：
  名称：

  EP1997800

  摘要：

  公开号：
• 作为产物：
  描述：

  2,4-二氯苯乙腈 、 1,2-二溴乙烷 在 四丁基溴化铵 、 potassium hydroxide 作用下， 以 水 、 甲苯 为溶剂， 反应 0.5h， 以74%的产率得到1-(2,4-二氯苯基)-1-环丙甲腈
  参考文献：
  名称：

  一种环丁酰胺类化合物或其作为农药可接受的盐、组合物及其用途

  摘要：

  本发明属于农药领域，具体涉及一种环丁酰胺类化合物或其作为农药可接受的盐、组合物及其用途，所述化合物具有式（I）结构：，式中各基团定义如说明书中所示。本发明的环丁酰胺类化合物具有比已知化合物更高的杀菌或杀线虫活性。

  公开号：

  CN114163382A

文献信息

• GLUCOCORTICOID RECEPTOR ANTAGONISTS
  申请人：Bailly Jacques

  公开号：US20090088425A1

  公开（公告）日：2009-04-02

  The present invention relates to compounds of formula I wherein A, n, R 1a to R 1e and R 2 to R 5 are as defined in the description and claims, and pharmaceutically acceptable salts thereof. The compounds are glucocorticoid receptor antagonists useful for the treatment and/or prevention of diseases such as diabetes, dyslipidemia, obesity, hypertension, cardiovascular diseases, adrenal imbalance or depression.

  本发明涉及以下式I的化合物 其中A，n，R1a至R1e和R2至R5如描述和权利要求中所定义，并且其药学上可接受的盐。这些化合物是糖皮质激素受体拮抗剂，可用于治疗和/或预防疾病，如糖尿病，血脂异常，肥胖，高血压，心血管疾病，肾上腺失调或抑郁症。
• Heteroaromatic substituted cyclopropane as corticotropin releasing hormone ligands
  申请人：——

  公开号：US20030229091A1

  公开（公告）日：2003-12-11

  Provided herein are novel heteroaromatic substituted cyclopropanes of the Formula (I): 1 as well as compositions, including pharmaceutical compositions, containing the same, and the use thereof in the treatment of various neurological and psychological disorders, e.g., anxiety and depression, treatable by antagonizing CRF receptors.

  本文提供了式(I)的新颖杂环芳基取代环丙烷，以及含有这些化合物的组合物，包括药物组合物，并且这些化合物在治疗各种神经系统和心理障碍，如焦虑和抑郁症，通过拮抗CRF受体的作用中的用途。
• Substituted thiazoles and oxazoles as corticotropin releasing hormone ligands
  申请人：——

  公开号：US20030114502A1

  公开（公告）日：2003-06-19

  Provided herein are novel substituted thiazoles and oxazoles of the Formula (I): 1 as well as compositions, including pharmaceutical compositions, containing the same, and the use thereof in the treatment of various neurological and psychological disorders, e.g., affective disorder, anxiety and depression, treatable by antagonizing CRF receptors.

  本文提供了一种新的取代噻唑和噁唑化合物，其化学式为(I):1，以及包含这些化合物的组合物，包括药物组合物，并且这些化合物可用于治疗各种神经和心理疾病，例如，情感障碍、焦虑和抑郁症，通过拮抗CRF受体来治疗。
• Oxadiazole Derivatives with Crth2 Receptor Activity
  申请人：Receveur Jean-Marie

  公开号：US20080312220A1

  公开（公告）日：2008-12-18

  Compounds of formula are CRTH2 ligands, useful for treatment of inflammatory, autoimmune, respiratory or allergy disease: wherein R 1 is hydrogen or methyl and R 2 is optionally substituted cycloalkyl, or optionally substituted non-aromatic heterocyclyl having to 6 ring atoms; or R 1 and R 2 , taken together with the carbon atom to which they are attached form an optionally substituted cycloalkyl, or optionally substituted non-aromatic heterocyclyl having 4 to 6 ring atoms: or R 1 and R 2 , taken together with the carbon atom to which they are attached form an optionally substituted cycloalkyl, or optionally substituted cycloalkyl, or optionally substituted non-aromatic heterocyclyl ring having 4 to 6 ring atoms; R is hydrogen or an optional substitutent by 1, 2 or 3 optional substituents; A is hydrogen or C 1 -C 3 alkyl; and ring Ar is an optionally substituted phenyl or 5- or 6-membered monocyclic heteroaryl ring.

  该化合物的分子式为CRTH2配体，可用于治疗炎症、自身免疫、呼吸或过敏性疾病：其中R1为氢或甲基，R2为可选取代的环烷基，或具有1-6个环原子的可选取代的非芳香杂环基；或R1和R2与它们所附着的碳原子一起形成一个可选取代的环烷基，或具有4-6个环原子的可选取代的非芳香杂环基；或R1和R2与它们所附着的碳原子一起形成一个可选取代的环烷基，或可选取代的环烷基，或具有4-6个环原子的可选取代的非芳香杂环基环；R为氢或1、2或3个可选取代基团；A为氢或C1-C3烷基；环Ar为可选取代的苯基或5-或6-成员单环杂芳基环。
• N-2-(Hetero)Arylethylcarboxamide Derivative, and Pest-Controlling Agent Comprising the Same
  申请人：Oda Masatsugu

  公开号：US20110136831A1

  公开（公告）日：2011-06-09

  An N-2-(hetero)arylethylcarboxamide derivative represented by the formula (I) wherein R 1 and R 2 are each independently a hydrogen atom etc., R 3 and R 4 are each independently a hydrogen atom etc., each Y is independently a halogen atom; a (C 1 -C 6 )alkyl group optionally substituted by halogen atom(s) etc., n is an integer of 1 to 5, A is a specific substituted cyclic group, E is C—H; C—Y (Y is as defined above); or a nitrogen atom, a salt thereof, and a pest controlling agent containing the derivative or salt as an active ingredient show superior performance as compared to the prior art technique, and are is useful particularly as plant disease controlling agents or nematocides having a broad control spectrum at a low dose.

  一种N-2-(杂)芳基乙基羧酰胺衍生物，其化学式表示为(I)，其中R1和R2分别独立地表示氢原子等，R3和R4分别独立地表示氢原子等，每个Y独立地表示卤原子；一种(C1-C6)烷基，该烷基可选择地被卤原子等取代等，n为1至5的整数，A是一种特定的取代环状基团，E为C—H；C—Y（其中Y如上所定义）；或氮原子，其盐，以及含有该衍生物或盐作为活性成分的杀虫剂与先前技术相比表现出卓越性能，并且特别适用于具有广泛控制光谱的植物病害控制剂或线虫剂，剂量低。