6967-89-1

• 常用中文名：萘-2-硫代甲酰胺
• 常用英文名：NAPHTHALENE-2-CARBOTHIOAMIDE
• CAS号：6967-89-1
• 分子式：C₁₁H₉NS
• 分子量：187.26100
• 发布时间：2018-06-16 19:56:35
• 更新时间：2024-01-13 10:50:01
• 下载msds

名称

• 中文名: 萘-2-硫代甲酰胺
• 英文名: naphthalene-2-carbothioamide
• 中文别名: 2-硫代萘甲酰胺
• 英文别名: HMS566F01; 2-naphthylthioamide; [2]thionaphthamide; MFCD01571356; thio-2-naphthamide; 2-Naphthalenecarbothioamide; [2]Thionaphthamid; naphthalene-2-carbothioic acid amide

物化性质

• 密度: 1.247g/cm3
• 沸点: 360.3ºC at 760 mmHg
• 熔点: 150ºC
• 分子式: C₁₁H₉NS
• 分子量: 187.26100
• 闪点: 171.7ºC
• 精确质量: 187.04600
• PSA: 58.11000
• LogP: 3.17430
• 折射率: 1.735
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  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:2

  6.拓扑分子极性表面积58.1

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:202

  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

• 更多:

  一、物性数据

  性状：不可用

  密度（g/mL,25/4℃）：不可用

  相对蒸汽密度（g/mL,空气=1）：不可用

  熔点（ºC）：150-152

  沸点（ºC,常压）：不可用

  沸点（ºC,5.2kPa）：不可用

  折射率：不可用

  闪点（ºC）：不可用

  比旋光度（º）：不可用

  自燃点或引燃温度（ºC）：不可用

  蒸气压（kPa,25ºC）：不可用

  饱和蒸气压（kPa,60ºC）：不可用

  燃烧热（KJ/mol）：不可用

  临界温度（ºC）：不可用

  临界压力（KPa）：不可用

  油水（辛醇/水）分配系数的对数值：不可用

  爆炸上限（%,V/V）：不可用

  爆炸下限（%,V/V）：不可用

  溶解性：不可用

MSDS

Name: Naphthalene-2-carbothioamide 97% Material Safety Data Sheet Synonym: CAS: 6967-89-1 Section 1 - Chemical Product MSDS Name:Naphthalene-2-carbothioamide 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 6967-89-1 Naphthalene-2-carbothioamide 97% unlisted 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# 6967-89-1: 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: 150 - 152 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: C11H9NS Molecular Weight: 187.27 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 6967-89-1 unlisted. LD50/LC50: Not available. Carcinogenicity: Naphthalene-2-carbothioamide - 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: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 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# 6967-89-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 6967-89-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 6967-89-1 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: 二、毒理学数据： 急性毒性：不可用。 生态学数据: 三、生态学数据： 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。

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
• 危险品运输编码: UN2811
• 包装等级: III
• 危险类别: 6.1
• 海关编码: 2930909090

合成路线

2243-82-5 ~62% 6967-89-1

文献：Colabufo, Nicola A.; Contino, Marialessandra; Cantore, Mariangela; Capparelli, Elena; Perrone, Maria Grazia; Cassano, Giuseppe; Gasparre, Giuseppe; Leopoldo, Marcello; Berardi, Francesco; Perrone, Roberto Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 5 p. 1324 - 1332

613-46-7 ~84% 6967-89-1

文献：Matsuda, Koyo; Yanagisawa, Isao; Isomura, Yasuo; Mase, Toshiyasu; Shibanuma, Tadao Synthetic Communications, 1997 , vol. 27, # 14 p. 2393 - 2402

2243-83-6 ~% 6967-89-1

文献：Bioorganic and Medicinal Chemistry, , vol. 21, # 5 p. 1324 - 1332

93-09-4 ~% 6967-89-1

文献：Bioorganic and Medicinal Chemistry, , vol. 21, # 5 p. 1324 - 1332

20893-80-5 ~% 6967-89-1

文献：Chemische Berichte, , vol. 20, p. 1118

海关

海关编码	2930909090
中文概述	2930909090. 其他有机硫化合物. 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:30.0%
申报要素	品名, 成分含量, 用途
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%