17616-04-5 (4-(1H-咪唑-1-基)苯甲酸,HIBA)

CAS号:
17616-04-5
中文名称:
4-(1H-咪唑-1-基)苯甲酸
英文名称:
HIBA
安全信息:
分子式:
C10H8N2O2
分子量:
188.182722091675
相关分类:

4-(1H-咪唑-1-基)苯甲酸(17616-04-5)名称与标识符

名称

中文别名:
4-(1H-咪唑-1-基)苯甲酸;4-(1-咪唑基)苯甲酸;4-(咪唑-1-基)苯甲酸;4-(1H-咪唑)苯甲酸;4-(1H-咪唑-1-基)苯甲酸 10G;
英文别名:
4-(1H-Imidazol-1-yl)benzoic acid;4-(IMIDAZOL-1-YL)BENZOIC ACID;4-(1-Imidazolyl)benzoic Acid;4-imidazol-1-ylbenzoic acid;BUTTPARK 98\50-48;RARECHEM AL BO 1657;4-(IMIDAZOL-1-YL)-BENZOIC ACID;4-(IMidazole-1-yl) benzoic acid;1-(4-Carboxyphenyl)-1H-imidazole;4-(1H-imidazol-1-yl)benzoic acid(SALTDATA: FREE);4-(Imidazol-1-yl)benzoic acid, HPLC 97%;Benzoic acid, 4-(1H-imidazol-1-yl)-;4-(1H-Imidazole-1-yl)benzoic acid;4-imidazolylbenzoic acid;4-(1H-imidazol-1-yl)benzoicacid;PubChem19564;Oprea1_400367;4-imidazol-1-yl-benzoic acid;4-imidazol-1-yl benzoic acid;4-(Imidazol-1-yl)benzoicacid;Jsp003615;LFIDZIWWY;HIBA;AMY4761;I1017;LFIDZIWWYNTQOQ-UHFFFAOYSA-N;A24844;OXAZOLE-5-CARBOXYLICACIDHYDRAZIDE;J-640093;J-800096;Z175791402;YSZC534;AC-2821;DTXSID90353057;CS-0110912;AC-2826;PS-4292;SDCCGMLS-0066008.P001;4-(1H-Imidazol -1-yl)benzoic acid;EN300-24282;SCHEMBL62049;MFCD00586645;CHEMBL4543910;FT-0616791;17616-04-5;W-206233;AKOS000260659;SY003057;

标识符

MDL:
MFCD00586645
InChIKey:
LFIDZIWWYNTQOQ-UHFFFAOYSA-N
Inchi:
1S/C10H8N2O2/c13-10(14)8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,(H,13,14)
SMILES:
OC(C1C=CC(=CC=1)N1C=NC=C1)=O

4-(1H-咪唑-1-基)苯甲酸(17616-04-5)物化性质

实验特性

  • LogP : 1.57050
  • PSA : 55.12000
  • 沸点 : 403.6°Cat760mmHg
  • 熔点 : 309-311 ºC (dec.)
  • 闪点 : 197.9°C
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 密度 : 1.28

计算特性

  • 精确分子量 : 188.05900
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 188.058577502g/mol
  • 重原子数量 : 14
  • 复杂度 : 212
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.2
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 55.1

4-(1H-咪唑-1-基)苯甲酸(17616-04-5)海关数据

海关编码:
2933290090
海关数据:

中国海关编码:

2933290090

概述:

2933290090. 其他结构含非稠合咪唑环的化合物. 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

Summary:

2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-(1H-咪唑-1-基)苯甲酸(17616-04-5)推荐厂家 更多厂家(31)

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4-(1H-咪唑-1-基)苯甲酸(17616-04-5)相关文献

4-(1H-咪唑-1-基)苯甲酸(17616-04-5)参考资料

Reaxys RN:
3542729
PubChem CID:

4-(1H-咪唑-1-基)苯甲酸(17616-04-5) MSDS

基础信息

Name:4-(1h-imidazol-1-yl)benzoic acid 90+% Material Safety Data Sheet
Synonym:
CAS:17616-04-5
Section 1 - Chemical Product ? MSDS Name:4-(1h-imidazol-1-yl)benzoic acid 90+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
17616-04-54-(1H-Imidazol-1-yl)benzoic acid90+%unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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:
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# 17616-04-5: 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: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 309 - 311 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: C10H8N2O2
Molecular Weight: 188.19

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:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 17616-04-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(1H-Imidazol-1-yl)benzoic acid - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
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 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 17616-04-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17616-04-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17616-04-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A