1,3-二氯-5-氯甲基苯 | 3290-06-0

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 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: 1,3-二氯-5-氯甲基苯
• 中文别名: 3,5-二氯苄氯；3,5-二氯氯苄
• 英文名称: 1,3-dichloro-5-chloromethyl-benzene
• 英文别名: 3,5-dichlorobenzyl chloride；1,3-dichloro-5-(chloromethyl)benzene
• CAS: 3290-06-0
• 化学式: C₇H₅Cl₃
• 分子量: 195.476
• InChiKey: ZFLRKAMKGYNFPH-UHFFFAOYSA-N

物化性质

• 熔点：
  35°C
• 沸点：
  230.4°C (estimate)
• 密度：
  1.3950 (estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险等级：
  LACHRYMATOR, CORROSIVE
• 危险品标志：
  C
• 危险类别码：
  R34
• 危险品运输编号：
  UN 3261
• 海关编码：
  2903999090
• 安全说明：
  S26,S36/37/39,S45
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H314
• 储存条件：
  2-8°C

SDS

Name:	1 3-Dichloro-5-(chloromethyl)benzene 95+% Material Safety Data Sheet
Synonym:	3,5-Dichlorobenzyl chlorid
CAS:	3290-06-0

Section 1 - Chemical Product MSDS Name:1 3-Dichloro-5-(chloromethyl)benzene 95+% Material Safety Data Sheet
Synonym:3,5-Dichlorobenzyl chlorid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
3290-06-0	1,3-Dichloro-5-(chloromethyl)benzene	95+%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

---

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. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

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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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

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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. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 3290-06-0: 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: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 35 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H5Cl3
Molecular Weight: 195

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, bases, amines.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 3290-06-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,3-Dichloro-5-(chloromethyl)benzene - 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
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 3290-06-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3290-06-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3290-06-0 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：

  1,3-二氯-5-氯甲基苯 在 potassium permanganate 、 sodium hydride 作用下， 以 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 16.17h， 生成 1-[(3,5-dichlorophenyl)methyl]indole-3-carboxylic acid
  参考文献：
  名称：

  与氯硝胺相关的吲哚衍生物

  摘要：

  报道了 1-benzylindole-3- 羧酸的合成和抗肿瘤活性。化合物 16b 在 1 位带有与 Lonidamine (1) 相同的替代物，被证明是最具活性的衍生物。

  DOI：

  10.1002/ardp.19843171007
• 作为产物：
  描述：

  3,5-二氯苯甲酸 在 sodium tetrahydroborate 、 potassium chloride 作用下， 以 四氢呋喃 为溶剂， 60.0~110.0 ℃ 、202.66 kPa 条件下， 反应 4.2h， 以98.8%的产率得到1,3-二氯-5-氯甲基苯
  参考文献：
  名称：

  除草剂噁嗪草酮中间体3,5-二氯苄氯的合成方法

  摘要：

  本发明公开了一种除草剂噁嗪草酮中间体3,5‑二氯苄氯的合成方法，属于农药制药领域，其特征在于，将3,5‑二氯苯甲酸、复氢化合物、金属氯化物在聚乙二醇作用下反应得到3,5‑二氯苄氯。反应过程为：1)在保护气条件下，在反应釜中加入3,5‑二氯苯甲酸、溶剂A和复氢化合物，升温至40～60℃反应5～12min，加入金属氯化物、聚乙二醇和碱水，开启超声辅助，设定好功率和频率，控制温度为90～110℃，反应压力维持1.5～2个大气压，保持2～4h反应结束；2)将体系冷却后，加入约1～2倍反应液体积的溶剂B，过滤除去不溶物，分层，有机相用干燥剂干燥后，经浓缩、重结晶得到3,5‑二氯苄氯。本发明步骤少，副反应少，产率高，排污少，操作安全。

  公开号：

  CN109232164A

文献信息

• 吡咯并吡唑类衍生物、其制备方法及其在医药上的应用
  申请人：上海美迪西生物医药股份有限公司

  公开号：CN110194773A

  公开（公告）日：2019-09-03

  本发明涉及吡咯并吡唑类衍生物、其制备方法及其在医药上的应用。具体的说，本发明涉及一类通式（I）所示的新的吡咯并吡唑类衍生物、其制备方法以及其本身或含有此类衍生物的药物组合物作为治疗剂，特别是作为胃酸分泌抑制剂和钾离子竞争性酸阻滞剂（P‑CABs）在生物医药中的用途。其中通式（I）中的各取代基（R1、R2、R3）和基团（X、Y、Z）与说明书中的定义相同。
• [EN] MLKL INHIBITORS<br/>[FR] INHIBITEURS MLKL
  申请人：NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING

  公开号：WO2018157800A1

  公开（公告）日：2018-09-07

  Purine derivatives that inhibit cellular necroptosis and/or human MLKL, pharmaceutical compositions thereof, and methods of treating an MLKL-mediated disorder with an effective amount of the compound or composition. Said MLKL-mediated disorder is pathology associated necroptosis, including ischemia-reperfusion damage, neurodegeneration, and inflammatory diseases such as acute pancreatitis, multiple sclerosis, inflammatory bowel disease, and allergic colitis.

  嘌呤衍生物，用于抑制细胞坏死性凋亡和/或人类MLKL；包含该衍生物的药物组合物；以及使用有效量的该化合物或组合物治疗MLKL介导的疾病的方法。所述MLKL介导的疾病是与坏死性凋亡相关的病理学，包括缺血再灌注损伤、神经退行性疾病、以及诸如急性胰腺炎、多发性硬化症、炎症性肠病和过敏性结肠炎等炎症性疾病。
• Palladium-catalyzed carbonylative cyclization of benzyl chlorides with anthranils for the synthesis of 3-arylquinolin-2(1<i>H</i>)-ones
  作者：Jian-Li Liu、Ren-Rui Xu、Wei Wang、Xinxin Qi、Xiao-Feng Wu

  DOI：10.1039/d1ob00298h

  日期：——

  An efficient carbonylative procedure for the synthesis of 3-arylquinoin-2(1H)-ones has been established. Through a palladium-catalyzed aminocarbonylation of benzyl chlorides with anthranils, a variety of 3-arylquinoin-2(1H)-one products were obtained in moderate to excellent yields with good functional group tolerance.

  已经建立了用于合成 3-arylquinoin-2(1 H )-ones 的有效羰基化方法。通过钯催化的苄基氯与邻氨基苯甲酰氨基羰基化反应，以中等至优异的收率获得了多种 3-arylquinoin-2(1 H )-one 产物，具有良好的官能团耐受性。
• Carbon-halogen bond activation by a structurally constrained phosphorus(III) platform
  作者：Penglong Wang、Qin Zhu、Yi Wang、Guixiang Zeng、Jun Zhu、Congqing Zhu

  DOI：10.1016/j.cclet.2020.11.005

  日期：2021.4

  The σ-bond activation by main group element has received enormous attention from theoretical and experimental chemists. Here, the reaction of C–X (X = Cl, Br, I) bonds in benzyl and allyl halides with a pincer-type phosphorus(III) species was reported. A series of structurally robust phosphorus(V) compounds were formed via the formal oxidative addition reactions of C–X bonds to the phosphorus(III)

  通过主族元素进行的σ键活化受到了理论和实验化学家的极大关注。在这里，有报道称苄基和烯丙基卤化物中的C–X（X = Cl，Br，I）键与钳型磷（III）的反应。通过以下方法形成了一系列结构坚固的磷（V）化合物C–X键与磷（III）中心的正式氧化加成反应。密度泛函理论计算表明，亲核加成过程比直接氧化加成机理更有利。磷（III）化合物的弯曲结构异构化为亲核性较差的化合物，以进行进一步的C–X键活化作用，这可以通过前沿分子轨道分析来合理化。这项研究不仅提供了对磷（III）物种的反应性的深刻理解，而且还展示了主要基团元素对小分子活化的潜力。
• Glucagon antagonists/inverse agonists
  申请人：Noro Nordisk A/S

  公开号：US06503949B1

  公开（公告）日：2003-01-07

  Disclosed is a novel class of compounds of formula (I) wherein V, A, Y, Z, R1, E, X and D are as defined in the specification. These compounds act to antagonize the action of the glucagon hormone on the glucagon receptor. Owing to their antagonizing effect of the glucagon receptor, the compounds are suitable for treating or preventing glucagon-mediated conditions and diseases such as hyperglycemia, Type 1 diabetes, Type 2 diabetes and obesity.

  揭示了一类新的化合物，其化学式为（I），其中V、A、Y、Z、R1、E、X和D的定义如规范中所述。这些化合物作用于拮抗胰高血糖素激素对胰高血糖素受体的作用。由于这些化合物对胰高血糖素受体的拮抗作用，它们适用于治疗或预防由胰高血糖素介导的疾病和病症，如高血糖、1型糖尿病、2型糖尿病和肥胖症。

表征谱图