1H-Benzimidazole,2-(trifluoromethyl)-
- 中文别名：2-(三氟甲基)苯并咪唑
- 中文释义：2-(三氟甲基)苯并咪唑;2-(三氟甲基)-1H-苯并[D]咪唑
- 英文别名：2-(trifluoromethyl)-1H-benzimidazole;
2-(Trifluoromethyl)benzimidazole;
2-trifluoromethyl-1H-benzimidazole;
2-Trifluoromethyl-1H-benzoimidazole;
2-Trifluoromethylbenzimidazole;
Benzimidazole,2-trifluoromethyl
- CAS No.：312-73-2
- 分子式：
C8H5F3N2
- 分子量：186.13
- 精确分子量：186.04000
- PSA：28.68000
- MDL：MFCD00022675
- InChI：InChI=1/C8H7ClO4S/c1-13-8(10)6-2-4-7(5-3-6)14(9,11)12/h2-5H,1H3
- 分子结构式：
物化性质
- 外观与性状：
- 固体
- 密度：
- 1.447 g/cm3
- 熔点：
- 208-211 °C(lit.)
- 沸点：
- 262.8ºC at 760 mmHg
- 闪点：
- 112.7ºC
- 水溶解性：
- PRACTICALLY INSOLUBLE
- 折射率：
- 1.54
- 存储条件/存储方法：
密封储存，储存于阴凉、干燥的库房。
- 稳定性相关：
避免与不相容材料接触。避免存放在高温的地方。
2-(三氟甲基)苯并咪唑 安全信息
- 包装等级：
- II
- 风险类别：
- 6.1(a)
- 海关代码：
- 2933990090
- WGK_Germany：
- 3
德国有关水污染物质的分类清单 - 危险类别码：
- R23/24/25;R36/37/38
- 安全说明：
- S22-S26-S36/37/39-S45-S28A
- RTECS号：
- DE1576000
- 安全标志：
- S22:不要吸入粉尘。
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S28:接触皮肤之后，立即使用大量皂液洗涤。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
: - 危险标志：
- T: Toxic;
安全信息
- 外观与性状：
- 固体
- 密度：
- 1.447 g/cm3
- 熔点：
- 208-211 °C(lit.)
- 沸点：
- 262.8ºC at 760 mmHg
- 闪点：
- 112.7ºC
- 水溶解性：
- PRACTICALLY INSOLUBLE
- 折射率：
- 1.54
- 存储条件/存储方法：
密封储存，储存于阴凉、干燥的库房。
- 稳定性相关：
避免与不相容材料接触。避免存放在高温的地方。
2-(三氟甲基)苯并咪唑 安全信息
- 包装等级：
- II
- 风险类别：
- 6.1(a)
- 海关代码：
- 2933990090
- WGK_Germany：
- 3
德国有关水污染物质的分类清单 - 危险类别码：
- R23/24/25;R36/37/38
- 安全说明：
- S22-S26-S36/37/39-S45-S28A
- RTECS号：
- DE1576000
- 安全标志：
- S22:不要吸入粉尘。
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S28:接触皮肤之后，立即使用大量皂液洗涤。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
: - 危险标志：
- T: Toxic;
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DE1576000
- CHEMICAL NAME :
- Benzimidazole, 2-trifluoromethyl-
- CAS REGISTRY NUMBER :
- 312-73-2
- BEILSTEIN REFERENCE NO. :
- 0163420
- LAST UPDATED :
- 199803
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C8-H5-F3-N2
- MOLECULAR WEIGHT :
- 186.15
- WISWESSER LINE NOTATION :
- T56 BM DNJ CXFFF
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 28 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSSCBG Pesticide Science. (Blackwell Scientific Pub. Ltd., POB 88, Oxford, UK) V.1- 1970- Volume(issue)/page/year: 15,31,1984
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07536
- 毒理学数据：
1、急性毒性：大鼠经口LD50：28mg/kg；小鼠经静脉LD50：56mg/kg；
MSDS
| Name: | 2-(Trifluoromethyl)benzimidazole Material Safety Data Sheet |
| Synonym: | 1H-Benzimidazole,2-(trifluoromethyl) |
| CAS: | 312-73-2 |
Section 1 - Chemical Product MSDS Name:2-(Trifluoromethyl)benzimidazole Material Safety Data Sheet
Synonym:1H-Benzimidazole,2-(trifluoromethyl)
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 312-73-2 | 2-(Trifluoromethyl)benzimidazole | 100.0 | unlisted |
Hazard Symbols: T
Risk Phrases: 25
Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Toxic if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May be fatal if swallowed. May cause irritation of the digestive tract.
Inhalation:
May cause respiratory tract irritation.
Chronic:
No information found.
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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
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:
Antidote: None reported.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.
Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 312-73-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Not available.
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 208.00 - 211.00
Autoignition Temperature: Not applicable.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H5F3N2
Molecular Weight: 186.0436
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 312-73-2: DE1576000 LD50/LC50:
CAS# 312-73-2: Oral, rat: LD50 = 28 mg/kg.
Carcinogenicity:
2-(Trifluoromethyl)benzimidazole - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
Section 12 - ECOLOGICAL INFORMATION
Other No information available.
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 25 Toxic if swallowed.
Safety Phrases:
S 28 After contact with skin, wash immediately
with...
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 312-73-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 312-73-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 312-73-2 is not listed on the TSCA inventory.
It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
N/A
海关数据
中国海关编码：2933990090
- 概述：
- 2933990090. 其他仅含氮杂原子的杂环化合物. 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
- 摘要/Summary：
- 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
分子结构与计算化学数据
计算化学数据
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:4
4.可旋转化学键数量:0
5.互变异构体数量:无
6.拓扑分子极性表面积28.7
7.重原子数量:13
8.表面电荷:0
9.复杂度:192
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
