21714-35-2
21714-35-2结构式
- 常用中文名：1-(2-氯-5-三氟甲苯基)-2-硫脲
- 常用英文名：(2-chloro-5-trifluoromethyl)phenylthiourea
- CAS号：21714-35-2
- 分子式：C8H6ClF3N2S
- 分子量：254.66000
- 相关类别： 化学试剂 有机试剂 硫脲
- 发布时间：2019-01-18 15:04:00
- 更新时间：2024-01-15 17:59:09
| 中文名 | 1-(2-氯-5-三氟甲苯基)-2-硫脲 |
|---|---|
| 英文名 | [2-chloro-5-(trifluoromethyl)phenyl]thiourea |
| 中文别名 |
1-[2-氯-5-(三氟甲基)苯基]硫脲
2-氯-5-(三氟甲基)苯基硫脲 |
| 英文别名 |
MFCD00041155
hms566i18 |
| 密度 | 1.562g/cm3 |
|---|---|
| 沸点 | 288.1ºC at 760mmHg |
| 熔点 | 140-142°C |
| 分子式 | C8H6ClF3N2S |
| 分子量 | 254.66000 |
| 闪点 | 128ºC |
| 精确质量 | 253.98900 |
| PSA | 70.14000 |
| LogP | 3.78760 |
| 蒸汽压 | 0.00239mmHg at 25°C |
| 折射率 | 1.61 |
| 储存条件 | 保持贮藏器密封 放入紧密的贮藏器内，储存在阴凉，干燥的地方 |
| 稳定性 | 如果遵照规格使用和储存则不会分解 避免接触氧化物 |
| 分子结构 | 1、 摩尔折射率：56.56 2、 摩尔体积(m3/mol)：163.0 3、 等张比容(90.2K)：434.8 4、 表面张力(dyne/cm)：50.6 5、 极化率(10-24cm3)：22.42 |
| 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:4 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:15 8.表面电荷:0 9.复杂度:247 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）：140-142 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（ºC）：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: 23/24/25 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Toxic in contact with skin. Ingestion: May cause irritation of the digestive tract. Toxic if swallowed. Inhalation: Causes respiratory tract irritation. Toxic 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: 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: 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. 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# 21714-35-2: 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: Crystals Color: off-white Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 139 - 141 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: C8H6ClF3N2S Molecular Weight: 255 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, bases. Hazardous Decomposition Products: Hydrogen chloride, hydrogen cyanide, carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 21714-35-2 unlisted. LD50/LC50: Not available. Carcinogenicity: N-[2-Chloro-5-(trifluoromethyl)phenyl]thiourea - 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: 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 Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T Risk Phrases: R 23/24/25 Toxic by inhalation, in contact with skin and if swallowed. 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 28A After contact with skin, wash immediately with plenty of water. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 38 In case of insufficient ventilation, wear suitable respiratory equipment. 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# 21714-35-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 21714-35-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 21714-35-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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生态学数据: 对水是稍微危害的，若无政府许可，勿将材料排入周围环境
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| 危害码 (欧洲) | T:Toxic; |
|---|---|
| 风险声明 (欧洲) | R22 |
| 安全声明 (欧洲) | S22-S36/37/39 |
| 海关编码 | 2930909090 |
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21714-35-2 |
| 文献：Heterocyclic Communications, , vol. 15, # 2 p. 127 - 133 |
| 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% |