698-29-3

• 常用中文名：2-甲基-4-氨基嘧啶-5-腈
• 常用英文名：4-Amino-2-methyl-5-pyrimidinecarbonitrile
• CAS号：698-29-3
• 分子式：C₆H₆N₄
• 分子量：134.139
• 相关类别： 医药中间体 杂环化合物 嘧啶类化合物 氨基嘧啶
• 发布时间：2018-04-06 08:00:00
• 更新时间：2024-01-04 17:42:32

名称

• 中文名: 2-甲基-4-氨基嘧啶-5-腈
• 英文名: 4-Amino-2-Methylpyrimidine-5-Carbonitrile
• 中文别名: 4-氨基-5-氰基-2-甲基嘧啶; 4-氨基-2-甲基-5-腈
• 英文别名: 4-Amino-2-methyl-5-pyrimidinecarbonitrile; 5-Pyrimidinecarbonitrile, 4-amino-2-methyl-; MFCD00084875; 5-Pyrimidinecarbonitrile, 1,4-dihydro-4-imino-2-methyl-; EINECS 211-814-2; 4-amino-2-methylpyrimidine-5-carbonitrile; 4-Imino-2-methyl-1,4-dihydro-5-pyrimidinecarbonitrile

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 206.9±43.0 °C at 760 mmHg
• 熔点: 249ºC
• 分子式: C₆H₆N₄
• 分子量: 134.139
• 闪点: 79.0±28.2 °C
• 精确质量: 134.059250
• PSA: 75.59000
• LogP: -1.32
• 外观性状: 灰白-黄色结晶固体
• 蒸汽压: 0.2±0.4 mmHg at 25°C
• 折射率: 1.650
• 储存条件: -20°C Freezer
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.5

  2.氢键供体数量:1

  3.氢键受体数量:4

  4.可旋转化学键数量:0

  5.互变异构体数量:3

  6.拓扑分子极性表面积:75.6

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:158

  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:1

MSDS

Name: 4-Amino-2-methylpyrimidine-5-carbonitrile 97% Material Safety Data Sheet Synonym: CAS: 698-29-3 Section 1 - Chemical Product MSDS Name:4-Amino-2-methylpyrimidine-5-carbonitrile 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 698-29-3 4-Amino-2-methylpyrimidine-5-carbonitr 97% 211-814-2 Hazard Symbols: XN Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. May cause respiratory tract irritation. 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: 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 698-29-3: 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: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 249 - 252 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: C6H6N4 Molecular Weight: 134 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 698-29-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Amino-2-methylpyrimidine-5-carbonitrile - 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: NITRILES, SOLID, TOXIC, N.O.S.* Hazard Class: 6.1 UN Number: 3276 Packing Group: III IMO Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing Group: III RID/ADR Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 698-29-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 698-29-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 698-29-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S36/37
• 海关编码: 2933599090

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海关

海关编码	2933599090
中文概述	2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%