中文名 | 邻氯苯基硫脲 |
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英文名 | 1-(2-Chlorophenyl)-2-thiourea |
中文别名 |
1-(2-氯苯基)-2-硫脲
2-氯苯基硫脲 |
英文别名 |
1-(2-Chlorophenyl)thiourea
EINECS 226-291-6 (2-chlorophenyl)thiourea MFCD00004934 |
密度 | 1.441g/cm3 |
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沸点 | 293.1ºC at 760mmHg |
熔点 | 144-149 °C |
分子式 | C7H7ClN2S |
分子量 | 186.66200 |
闪点 | 131.1ºC |
精确质量 | 186.00200 |
PSA | 70.14000 |
LogP | 2.76880 |
外观性状 | 针状或板 |
折射率 | 1.727 |
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,本品为白色或淡黄色固体,m.p.143~146℃,易溶于乙醇,易溶于水。 |
分子结构 | 分子性质数据: 1、 摩尔折射率:51.58 2、 摩尔体积(m3/mol):129.5 3、 等张比容(90.2K):377.6 4、 表面张力(dyne/cm):72.2 5、 极化率(10 -24cm 3):20.44 |
计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:2 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70.1 7.重原子数量:11 8.表面电荷:0 9.复杂度:151 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 | 1. 性状:未确定 2. 密度(g/mL,25/4℃):未确定 3. 相对蒸汽密度(g/mL,空气=1):未确定 4. 熔点(ºC):144-149 5. 沸点(ºC,常压):未确定 6. 沸点(ºC,5.2kPa):未确定 7. 折射率:未确定 8. 闪点(℃):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(kPa,25ºC):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。 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 28 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Very toxic if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May be fatal if swallowed. May cause irritation of the digestive tract. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid immediately. Wash mouth out with water. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Poison room locked. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 5344-82-1: 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: Powder Color: white to tan Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 143 - 146 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: C7H7ClN2S Molecular Weight: 186.66 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, strong acids, strong bases. Hazardous Decomposition Products: Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5344-82-1: YS7100000 LD50/LC50: CAS# 5344-82-1: Oral, rat: LD50 = 4600 ug/kg. Carcinogenicity: 1-(2-Chlorophenyl)-2-thiourea - 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 Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: II IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: II RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: II USA RQ: CAS# 5344-82-1: 100 lb final RQ; 45.4 kg final RQ Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T+ Risk Phrases: R 28 Very toxic if swallowed. Safety Phrases: S 1 Keep locked up. S 28A After contact with skin, wash immediately with plenty of water. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 5344-82-1: No information available. Canada CAS# 5344-82-1 is listed on Canada's NDSL List. CAS# 5344-82-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5344-82-1 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A |
毒理学数据: 急性毒性数据: 小鼠口服LD50:4600ug/kg,毒性作用的描述没有报告除此以外的其他致死剂量值。 生态学数据: 该物质对环境可能有危害,对水体应给予特别注意
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
危害码 (欧洲) | T+:Verytoxic; |
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风险声明 (欧洲) | R28 |
安全声明 (欧洲) | S45-S28A-S1 |
危险品运输编码 | 2811 |
RTECS号 | YS7100000 |
包装等级 | II |
危险类别 | 6.1 |
海关编码 | 2930909090 |
~13% 5344-82-1 |
文献:THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY; AUCKLAND UNISERVICES LIMITED Patent: WO2009/114552 A1, 2009 ; Location in patent: Page/Page column 141 ; |
~98% 5344-82-1 |
文献:Kodomari, Mitsuo; Suzuki, Masato; Tanigawa, Keiko; Aoyama, Tadashi Tetrahedron Letters, 2005 , vol. 46, # 35 p. 5841 - 5843 |
~% 5344-82-1 |
文献:Journal of the Chemical Society, , p. 3043 |
~% 5344-82-1 |
文献:Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 23 p. 5211 - 5217 |
~% 5344-82-1 |
文献:Tetrahedron Letters, , vol. 50, # 20 p. 2407 - 2410 |
~10% 5344-82-1 |
文献:Uberhande; Thakare; Berad Journal of the Indian Chemical Society, 2010 , vol. 87, # 9 p. 1137 - 1141 |
~% 5344-82-1 |
文献:Bioorganic and Medicinal Chemistry Letters, , vol. 11, # 7 p. 915 - 918 |
~% 5344-82-1 |
文献:Bioorganic and Medicinal Chemistry Letters, , vol. 20, # 3 p. 1177 - 1180 |
上游产品 5 | |
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下游产品 10 | |
海关编码 | 2930909090 |
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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% |