14401-51-5

• 常用中文名：4-氯苯甲脒盐酸盐
• 常用英文名：4-Chlorobenzamidine hydrochloride
• CAS号：14401-51-5
• 分子式：C₇H₈Cl₂N₂
• 分子量：191.05800
• 相关类别： 化学试剂 有机试剂 肟
• 发布时间：2018-02-23 08:00:00
• 更新时间：2024-01-06 10:55:55
• 下载msds

名称

• 中文名: 4-氯苯甲脒盐酸盐
• 英文名: 4-Chlorobenzene-1-carboximidamide hydrochloride
• 中文别名: 对氯苯甲脒盐酸盐
• 英文别名: MFCD00126401; 4-Chlorobenzamidine Hydrochloride; 4-chlorobenzenecarboximidamide,hydrochloride

物化性质

• 沸点: 241.1ºC at 760mmHg
• 熔点: 244 °C
• 分子式: C₇H₈Cl₂N₂
• 分子量: 191.05800
• 闪点: 99.6ºC
• 精确质量: 190.00600
• PSA: 49.87000
• LogP: 3.22610
• 外观性状: 固体;White to Almost white powder to crystal
• 蒸汽压: 0.0366mmHg at 25°C
• 折射率: 1.597
• 储存条件: 2-8°C
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:3

  3.氢键受体数量:1

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积49.9

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:128

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:2

MSDS

Name: 4-Chlorobenzene-1-carboximidamide hydrochloride 95+% Material Safety Data Sheet Synonym: 4-Chlorobenzamidine hydrochlorid CAS: 14401-51-5 Section 1 - Chemical Product MSDS Name:4-Chlorobenzene-1-carboximidamide hydrochloride 95+% Material Safety Data Sheet Synonym:4-Chlorobenzamidine hydrochlorid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 14401-51-5 4-Chlorobenzene-1-carboximidamide hydr 95+% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. 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. Ingestion: Get medical aid. Wash mouth out with 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. 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: Use water spray, dry chemical, carbon dioxide, or chemical foam. 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. 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. 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# 14401-51-5: 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. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: white crystalline solid Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 245 - 247 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: C7H8Cl2N2 Molecular Weight: 191 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, bases. Hazardous Decomposition Products: Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide, ammonia. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 14401-51-5: CV6136200 LD50/LC50: Not available. Carcinogenicity: 4-Chlorobenzene-1-carboximidamide hydrochloride - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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 No information available. IMO No information available. RID/ADR No information available. 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# 14401-51-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 14401-51-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 14401-51-5 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : CV6136200 CHEMICAL NAME : Benzamidine, p-chloro-, monohydrochloride CAS REGISTRY NUMBER : 14401-51-5 LAST UPDATED : 199206 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C7-H7-Cl-N2.Cl-H MOLECULAR WEIGHT : 191.07 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 90 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 84,16,1945

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36-S37/39
• 海关编码: 2925290090

合成路线

623-03-0 ~92% 14401-51-5

文献：MERCK PATENT GMBH Patent: WO2006/94604 A1, 2006 ; Location in patent: Page/Page column 62; 63; 72; 73 ; WO 2006/094604 A1

40546-41-6 ~59% 14401-51-5

文献：Kuvaeva; Fedorova; Zaitsev; Yakovlev; Zakharov; Semakova Russian Journal of Organic Chemistry, 2012 , vol. 48, # 2 p. 209 - 213

5033-28-3 ~70% 14401-51-5

文献：Mahajan, Umesh S.; Godinde, Rupesh R.; Mandhare Synthetic Communications, 2011 , vol. 41, # 15 p. 2195 - 2199

上下游产品

上游产品  3
623-03-0 40546-41-6 5033-28-3
下游产品  7
623-03-0 30894-94-1 1019-85-8 19922-07-7
7455-77-8 84660-25-3 95911-67-4

海关

海关编码	2925290090
中文概述	2925290090 其他亚胺及其衍生物，以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%