139742-50-0 (4-苯并咪唑-1-甲基-苯甲酸,4-(1H-Benzimidazol-1-ylmethyl)benzoic Acid)

快速询单

结构式：

4-苯并咪唑-1-甲基-苯甲酸MOL文件

CAS号：

139742-50-0

中文名称：

4-苯并咪唑-1-甲基-苯甲酸

英文名称：

4-(1H-Benzimidazol-1-ylmethyl)benzoic Acid

分子式：

C₁₅H₁₂N₂O₂

分子量：

252.267983436584

4-苯并咪唑-1-甲基-苯甲酸(139742-50-0)名称与标识符

名称

中文别名：

4-(1H-苯并咪唑-1-甲基)苯甲酸;4-苯并咪唑-1-甲基-苯甲酸;

英文别名：

4-((1H-Benzo[d]imidazol-1-yl)methyl)benzoic acid;4-(1H-BENZIMIDAZOL-1-YLMETHYL)BENZOIC ACID;4-(BENZIMIDAZOL-1-YLMETHYL)BENZOIC ACID;BUTTPARK 95\04-39;4-(1H-1,3-benzodiazol-1-ylmethyl)benzoic acid;4-(benzimidazol-1-ylmethyl)-benzoic acid;4-[(1H-Benzimidazol-1-yl)methyl]benzoic acid;4-Benzoimidazol-1-ylmethylbenzoic acid;Maybridge1_005258;MFCD02180372;EN300-26278;CS-0270444;4-(1,3-benzodiazol-1-ylmethyl)benzoic acid;Benzoic acid, 4-(1H-benzimidazol-1-ylmethyl)-;CHEMBL439834;DTXSID10370726;AKOS000118042;Oprea1_050403;4-(1H-benzimidazol-1-ylmethyl)benzoic acid, AldrichCPR;HMS556G22;PS-6014;139742-50-0;DB-004708;SCHEMBL1750364;4-[(1H-1,3-benzodiazol-1-yl)methyl]benzoic acid;4-[(1H-benzoimidazol-1-yl)methyl]benzoic acid;CCG-248420;W-205539;Z54581482;KLIANJXCGMBICV-UHFFFAOYSA-N;

标识符

MDL：

MFCD02180372

InChIKey：

KLIANJXCGMBICV-UHFFFAOYSA-N

Inchi：

1S/C15H12N2O2/c18-15(19)12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9H2,(H,18,19)

SMILES：

OC(C1C=CC(=CC=1)CN1C=NC2C=CC=CC1=2)=O

4-苯并咪唑-1-甲基-苯甲酸(139742-50-0)物化性质

实验特性

LogP : 2.78280
PSA : 55.12000
折射率 : 1.653
沸点 : 505°C at 760 mmHg
熔点 : 263-265°C
闪点 : 259.2°C
密度 : 1.27

计算特性

精确分子量 : 252.09000
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 3
同位素质量 : 252.09
重原子数量 : 19
复杂度 : 326
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） : 2.6
拓扑分子极性表面积 : 55.1A^2

4-苯并咪唑-1-甲基-苯甲酸(139742-50-0)安全信息

4-苯并咪唑-1-甲基-苯甲酸(139742-50-0)海关数据

海关编码：

2933990090

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

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%

4-苯并咪唑-1-甲基-苯甲酸(139742-50-0)推荐厂家更多厂家(6)

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上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
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上海阿拉丁生化科技股份有限公司	13167063860 13167063860	阿拉丁	3004013043	询单

4-苯并咪唑-1-甲基-苯甲酸(139742-50-0)上下游

对溴甲基苯甲酸甲酯苯并咪唑对溴甲基苯甲酸

4-苯并咪唑-1-甲基-苯甲酸(139742-50-0) MSDS

基础信息

Name:	4-(1H-Benzimidazol-1-ylmethyl)benzoic acid 97% Material Safety Data Sheet
Synonym:
CAS:	139742-50-0

Section 1 - Chemical Product ? MSDS Name:4-(1H-Benzimidazol-1-ylmethyl)benzoic acid 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
139742-50-0	4-(1H-Benzimidazol-1-ylmethyl)benzoic	97%	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# 139742-50-0: 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: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 263 - 265 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: C15H12N2O2
Molecular Weight: 252

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 139742-50-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(1H-Benzimidazol-1-ylmethyl)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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 139742-50-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 139742-50-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 139742-50-0 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A