N-甲基-4-氯苄胺 | 104-11-0

• 物质功能分类: 化学试剂 - 有机试剂 - 多胺
• 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: N-甲基-4-氯苄胺
• 中文别名: 4-氯-N-甲基苯甲胺；4-氯-N-甲基苄胺4-氯-N-甲基苄胺；N-(4-氯苄基)-N-甲胺；4-氯-N-甲基-苯甲胺
• 英文名称: N-methyl-4-chlorobenzylamine
• 英文别名: 1-(4-chlorophenyl)-N-methylmethanamine；4-chloro-N-methylbenzylamine；N-(4-chlorobenzyl)-N-methylamine；Benzenemethanamine, 4-chloro-N-methyl-
• CAS: 104-11-0
• 化学式: C₈H₁₀ClN
• mdl: MFCD00018749
• 分子量: 155.627
• InChiKey: LMBUJNXYGGNSAH-UHFFFAOYSA-N

物化性质

• 沸点：
  77 °C
• 密度：
  1.088±0.06 g/cm3(Predicted)
• 保留指数：
  1215.1

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• TSCA：
  Yes
• 危险等级：
  8
• 危险等级：
  IRRITANT
• 危险品标志：
  Xn,C
• 安全说明：
  S23,S26,S36/37/39,S45
• 危险类别码：
  R22,R34
• 海关编码：
  2921499090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P501,P210,P264,P280,P370+P378,P303+P361+P353,P301+P330+P331,P363,P304+P340+P310,P305+P351+P338+P310,P403+P235,P405
• 危险品运输编号：
  2735
• 危险性描述：
  H314,H227
• 储存条件：
  2-8°C

SDS

Name:	N-(4-Chlorobenzyl)-N-methylamine Material Safety Data Sheet
Synonym:	None Known
CAS:	104-11-0

Section 1 - Chemical Product MSDS Name:N-(4-Chlorobenzyl)-N-methylamine Material Safety Data Sheet
Synonym:None Known

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
104-11-0	Benzenemethanamine, 4-chloro-n-methyl-	97+	203-175-3

Hazard Symbols: C
Risk Phrases: 34

---

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:
Chronic exposure may cause effects similar to those of acute exposure.

---

Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Discard contaminated shoes.
Use only with adequate ventilation.
Storage:
Store in a tightly closed container. Corrosives area. Store under an inert atmosphere.

---

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# 104-11-0: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 77-78 deg C @ 1mmHg
Freezing/Melting Point: Not available.
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: C8H10ClN
Molecular Weight: 155.627

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 104-11-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzenemethanamine, 4-chloro-n-methyl- - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: Pseudomonas putida:

---

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

---

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing group: III

---

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 6 Keep under nitrogen.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 104-11-0: No information available.
Canada
CAS# 104-11-0 is listed on Canada's NDSL List.
CAS# 104-11-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 104-11-0 is listed on the TSCA inventory.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N-甲基-4-氯苄胺 在 ammonium hydroxide 、 1,3-二碘-5,5-二甲基海因 作用下， 反应 3.0h， 以79%的产率得到对氯苯甲腈
  参考文献：
  名称：

  在 NH3 水溶液中用 1,3-Diiodo-5,5-二甲基乙内酰脲氧化转化伯醇和伯胺、仲胺和叔胺为相应的腈类

  摘要：

  各种伯醇和伯胺、仲胺和叔胺在 60° 的氨水 (NH 3 ) 中通过 l,3-二碘-5,5-二甲基乙内酰脲 (DIH) 以良好的收率氧化并有效地转化为相应的腈C。

  DOI：

  10.1055/s-2007-967954
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 甲醇 、 palladium on activated charcoal 作用下， 生成 N-甲基-4-氯苄胺
  参考文献：
  名称：

  Catalytic Debenzylation. The Effect of Substitution on the Strength of the O-Benzyl and N-Benzyl Linkages¹

  摘要：

  DOI：

  10.1021/ja01250a048

文献信息

• [EN] HISTONE DEMETHYLASE INHIBITORS<br/>[FR] INHIBITEURS D'HISTONES DÉMÉTHYLASES
  申请人：CHRYSALIS INC

  公开号：WO2017143011A1

  公开（公告）日：2017-08-24

  This disclosure relates to compounds that inhibit histone demethylase activity. In particular, the disclosure relates to compounds that inhibit histone lysine demethylase KDM5B, pharmaceutical compositions and methods of use, such as methods of treating cancer using the compounds and pharmaceutical compositions disclosed herein.

  这份披露涉及抑制组蛋白去甲基化酶活性的化合物。具体而言，该披露涉及抑制组蛋白赖氨酸去甲基化酶KDM5B的化合物，以及使用这些化合物和药物组合物的方法，例如使用本文披露的化合物和药物组合物治疗癌症的方法。
• Substituted benzazaphospholes, herbicidal compositions and the use
  申请人：Monsanto Company

  公开号：US04319913A1

  公开（公告）日：1982-03-16

  This disclosure relates to novel substituted benzazaphospholes and to methods of preparing such compounds. This invention further relates to herbicidal compositions containing such benzazaphospholes and to herbicidal methods employing such compounds and compositions. The compounds of the present invention are members of a class of bicyclic hetero compounds containing only one phosphorus-nitrogen bond and different moieties bonded to the phosphorus and nitrogen.

  这项披露涉及新型取代苯并氮磷杂环烃及其制备方法。本发明还涉及含有这种苯并氮磷杂环烃的除草剂组合物，以及使用这些化合物和组合物的除草方法。本发明的化合物属于一类仅含有一条磷-氮键和与磷和氮相结合的不同基团的双环杂环化合物。
• 2-AMINOQUINOLINES
  申请人：Kolczewski Sabine

  公开号：US20090227583A1

  公开（公告）日：2009-09-10

  The present invention relates to compounds of formula (I) wherein A, R 1 , R 2 , R 3 , R 4 , and R 5 are as described herein, pharmaceutical compositions containing them, and methods for their manufacture. These compounds are 5-HT 5A receptor antagonistsand are useful in the prevention and/or treatment of depression, anxiety disorders, schizophrenia, panic disorders, agoraphobia, social phobia, obsessive compulsive disorders, post-traumatic stress disorders, pain, memory disorders, dementia, disorders of eating behaviors, sexual dysfunction, sleep disorders, abuse of drugs, motor disorders such as Parkinson's disease, psychiatric disorders or gastrointestinal disorders.

  本发明涉及式(I)的化合物， 其中A，R1，R2，R3，R4和R5如本文所述，含有它们的药物组合物，以及其制备方法。这些化合物是5-HT5A受体拮抗剂，可用于预防和/或治疗抑郁症、焦虑障碍、精神分裂症、恐慌障碍、广场恐惧症、社交恐惧症、强迫症、创伤后应激障碍、疼痛、记忆障碍、痴呆症、进食行为障碍、性功能障碍、睡眠障碍、药物滥用、帕金森病等运动障碍、精神障碍或胃肠道障碍的治疗。
• 一类苄基异喹啉化合物、制备方法和用途
  申请人：四川道珍科技有限公司

  公开号：CN111662230A

  公开（公告）日：2020-09-15

  一类苄基异喹啉化合物，制备方法和用途。这类化合物的结构如式Ⅰ所示：具有式(Ⅰ)结构的立体异构体或立体异构体混合物或其药学上可接受的盐，溶剂合物，以及它们与药学上可接受的载体形成的药物组合物可产生神经肌肉接头阻滞作用，在制备肌肉松弛药物领域中应用。各取代基的描述与说明书中一致。
• [EN] PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS.<br/>[FR] DÉRIVÉS DE PYRIMIDINE, PYRIDINE ET TRIAZINE EN TANT QU'OUVREURS DE CANAUX MAXI-K
  申请人：MITSUBISHI TANABE PHARMA CORP

  公开号：WO2009125870A1

  公开（公告）日：2009-10-15

  A compound of formula (A); wherein ring A is an aromatic ring or a heteroaromatic ring; R1 is independently halogen, cyano, etc., each of X1, X2 and X3 is CR2 or nitrogen, R2 is independently hydrogen, etc., n is 0, 1, 2, 3 or 4; -D-Y is -O-CH2COOH, etc, and G is a substituted amino, a substituted heterocyclic group, etc, or a pharmaceutical acceptable salt thereof, has activities of opening BK channels.

  化合物的结构式（A）；其中环A是芳香环或杂芳环；R1独立地是卤素、氰基等；X1、X2和X3中的每一个是CR2或氮，R2独立地是氢等；n为0、1、2、3或4；-D-Y是-O-CH2COOH等；G是取代氨基、取代杂环基等，或其药用可接受盐，具有开放BK通道的活性。