6326-27-8

• 常用中文名：4-甲基苯甲脒盐酸盐
• 常用英文名：4-Methylbenzene-1-carboximidamide hydrochloride
• CAS号：6326-27-8
• 分子式：C₈H₁₁ClN₂
• 分子量：170.639
• 相关类别： 化学试剂 有机试剂 肟
• 发布时间：2018-06-22 07:49:20
• 更新时间：2024-01-03 10:16:24

名称

• 中文名: 4-甲基苯甲脒盐酸盐
• 英文名: 4-Methylbenzene-1-carboximidamide hydrochloride
• 中文别名: 4-甲基苄脒盐酸盐
• 英文别名: 4-Toluamidine hydrochloride; Benzenecarboximidamide, 4-methyl-, hydrochloride (1:1); 4-Methylbenzenecarboximidamide monohydrochloride; p-Toluamidine, monohydrochloride; MFCD00040183; 4-Methylbenzene-1-carboximidamide hydrochloride; 4-methylbenzenecarboximidamide,hydrochloride; 4-Methylbenzenecarboximidamide hydrochloride; 4-Methylbenzenecarboximidamide hydrochloride (1:1); MUYZR D1 &&HCl

物化性质

• 沸点: 225ºC at 760 mmHg
• 熔点: 211-214°C
• 分子式: C₈H₁₁ClN₂
• 分子量: 170.639
• 闪点: 89.9ºC
• 精确质量: 170.061081
• PSA: 49.87000
• LogP: 2.88110
• 外观性状: 固体;White to Almost white powder to crystal
• 储存条件:

  避光，阴凉干燥处，密封保存

• 稳定性:

  常温常压下稳定， 粉末。

• 水溶解性: 可溶于：甲醇
• 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:3

  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:123

  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

• 更多:

  1. 性状：粉末

  2. 密度（g/mL, 25 ℃ ）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：211-214

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，3mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（ºF）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（20ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Name: 4-Methylbenzene-1-carboximidamide hydrochloride 97% Material Safety Data Sheet Synonym: 4-Methylbenzamidine hydrochlorid CAS: 6326-27-8 Section 1 - Chemical Product MSDS Name:4-Methylbenzene-1-carboximidamide hydrochloride 97% Material Safety Data Sheet Synonym:4-Methylbenzamidine hydrochlorid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 6326-27-8 4-Methylbenzene-1-carboximidamide hydr 97% 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# 6326-27-8: 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: 211 - 214 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: C8H11ClN2 Molecular Weight: 171 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, reducing agents, bases. Hazardous Decomposition Products: Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 6326-27-8: XS4865000 LD50/LC50: Not available. Carcinogenicity: 4-Methylbenzene-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# 6326-27-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 6326-27-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 6326-27-8 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

毒理学数据: 1. 急性毒性：小鼠腹腔LD50：235mg/kg； 仓鼠腹腔LD50：150mg/kg 主要的刺激性影响： 在皮肤上面：刺激皮肤和粘膜 在眼睛上面：刺激的影响 致敏作用：没有已知的敏化现象 生态学数据: 对水少是稍微危害的，不要让未稀释或大量的产品接触地下水、水道或污水系统 若无政府许可，勿将材料排入周围环境. CHEMICAL IDENTIFICATION RTECS NUMBER : XS4865000 CHEMICAL NAME : p-Toluamidine, monohydrochloride CAS REGISTRY NUMBER : 6326-27-8 LAST UPDATED : 199206 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C8-H10-N2.Cl-H HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 235 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 1,167,1942 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - hamster DOSE/DURATION : 150 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 1,167,1942

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-S36/37/39-S37/39
• 海关编码: 2925290090

合成路线

104-85-8 ~79% 6326-27-8

文献：Brown; Cronin; Lan; Nardo Australian Journal of Chemistry, 1985 , vol. 38, # 5 p. 825 - 833

72525-60-1 104-85-8 ~1% 6326-27-8

文献：Emura, Takashi; Haneishi, Tsuyoshi Patent: US2003/158442 A1, 2003 ;

19227-13-5 ~66% 6326-27-8

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

43002-64-8 ~71% 6326-27-8

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

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%