1H-Benzimidazole,2-(1,1-dimethylethyl)-
- 中文别名:2-叔丁基苯咪唑
- 中文释义:2-叔丁基苯咪唑;2-叔丁基苯并咪唑;2-叔丁基-1H-苯并咪唑;2-叔丁基-1H-苯并[d]咪唑
- 英文别名:2-tert-butyl-1H-benzimidazole;
2-tert-butyl-1H-benzoimidazole;
2-tert-Butyl-1H-benzo[d]imidazole;
BENZIMIDAZOLE,2-tert-BUTYL;
2-tert-Butylbenzimidazole;
2-t-butyl-1H-benzimidazole
- CAS No.:24425-13-6
- 分子式:
C11H14N2
- 分子量:174.25
- 精确分子量:174.11600
- PSA:28.68000
- MDL:MFCD00051584
- InChI:The Key: ZQWHWRQRGKZTSE-UHFFFAOYSA-N
- 分子结构式:
物化性质
- 密度:
- 1.076g/cm3
- 熔点:
- 320ºC
- 沸点:
- 340.4ºC at 760mmHg
- 闪点:
- 166.6ºC
- 折射率:
- 1.595
- 蒸汽压:
- 0.00017mmHg at 25°C
- 存储条件/存储方法:
- 库房通风低温干燥,与食品原料类分开存放
- 稳定性相关:
遵照规定使用和储存则不会分解。
- 其它信息:
1. 性状:无可用
2. 密度(g/mL,25/4℃):无可用
3. 相对蒸汽密度(g/mL,空气=1):无可用
4. 熔点(ºC):320
5. 沸点(ºC,常压):无可用
6. 沸点(ºC,5.2kPa):无可用
7. 折射率:无可用
8. 闪点(ºC):无可用
9. 比旋光度(º):无可用
10. 自燃点或引燃温度(ºC):无可用
11. 蒸气压(kPa,25ºC):无可用
12. 饱和蒸气压(kPa,60ºC):无可用
13. 燃烧热(KJ/mol):无可用
14. 临界温度(ºC):无可用
15. 临界压力(KPa):无可用
16. 油水(辛醇/水)分配系数的对数值:无可用
17. 爆炸上限(%,V/V):无可用
18. 爆炸下限(%,V/V):无可用
19. 溶解性:无可用
安全信息
- 密度:
- 1.076g/cm3
- 熔点:
- 320ºC
- 沸点:
- 340.4ºC at 760mmHg
- 闪点:
- 166.6ºC
- 折射率:
- 1.595
- 蒸汽压:
- 0.00017mmHg at 25°C
- 存储条件/存储方法:
- 库房通风低温干燥,与食品原料类分开存放
- 稳定性相关:
遵照规定使用和储存则不会分解。
- 其它信息:
1. 性状:无可用
2. 密度(g/mL,25/4℃):无可用
3. 相对蒸汽密度(g/mL,空气=1):无可用
4. 熔点(ºC):320
5. 沸点(ºC,常压):无可用
6. 沸点(ºC,5.2kPa):无可用
7. 折射率:无可用
8. 闪点(ºC):无可用
9. 比旋光度(º):无可用
10. 自燃点或引燃温度(ºC):无可用
11. 蒸气压(kPa,25ºC):无可用
12. 饱和蒸气压(kPa,60ºC):无可用
13. 燃烧热(KJ/mol):无可用
14. 临界温度(ºC):无可用
15. 临界压力(KPa):无可用
16. 油水(辛醇/水)分配系数的对数值:无可用
17. 爆炸上限(%,V/V):无可用
18. 爆炸下限(%,V/V):无可用
19. 溶解性:无可用
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DD6350000
- CHEMICAL NAME :
- Benzimidazole, 2-tert-butyl-
- CAS REGISTRY NUMBER :
- 24425-13-6
- BEILSTEIN REFERENCE NO. :
- 0133137
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C11-H14-N2
- MOLECULAR WEIGHT :
- 174.27
- WISWESSER LINE NOTATION :
- T56 BM DNJ CX1&1&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- 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
MUTATION DATA
- TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 250 ug/plate
- REFERENCE :
- CHIMAD Chimia. (Postfach 2027, CH-4001 Basel, Switzerland) V.1- 1947- Volume(issue)/page/year: 27,68,1973
- 生态数据:
该物质对环境可能有危害,对水体应给予特别注意。
MSDS
Name: | 2-tert-Butylbenzimidazole Material Safety Data Sheet |
Synonym: | |
CAS: | 24425-13-6 |
Section 1 - Chemical Product MSDS Name:2-tert-Butylbenzimidazole Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# | Chemical Name | content | EINECS# |
24425-13-6 | 2-tert-Butylbenzimidazole | | unlisted |
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
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.
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:
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# 24425-13-6: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 320 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: C11H14N2
Molecular Weight: 174.25
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 24425-13-6: DD6350000 LD50/LC50:
Not available.
Carcinogenicity:
2-tert-Butylbenzimidazole - 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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:
Section 15 - REGULATORY INFORMATION
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 24425-13-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 24425-13-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 24425-13-6 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
分子结构数据
1、 摩尔折射率:55.00
2、 摩尔体积(m3/mol):161.7
3、 等张比容(90.2K):412.8
4、 表面张力(dyne/cm):42.4
5、 极化率(10-24cm3):21.80
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:1
4.可旋转化学键数量:1
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:183
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