2046-03-9 (3-甲基-1-(4-甲基苯基)-1H-吡唑-5-醇,3-Methyl-1-(p-tolyl)-1H-pyrazol-5-ol)

快速询单

结构式：

3-甲基-1-(4-甲基苯基)-1H-吡唑-5-醇MOL文件

CAS号：

2046-03-9

中文名称：

3-甲基-1-(4-甲基苯基)-1H-吡唑-5-醇

英文名称：

3-Methyl-1-(p-tolyl)-1H-pyrazol-5-ol

分子式：

C₁₁H₁₂N₂O

分子量：

188.225782394409

3-甲基-1-(4-甲基苯基)-1H-吡唑-5-醇(2046-03-9)名称与标识符

名称

中文别名：

3-甲基-1-(4-甲基苯基)-1H-吡唑-5-醇;

英文别名：

3-Methyl-1-(p-tolyl)-1H-pyrazol-5-ol;1H-Pyrazol-5-ol,3-methyl-1-(4-methylphenyl)-;1-p-Tolyl-3-methyl-pyrazol-5-on;3-Methyl-1-(4-methylphenyl)-1H-pyrazol-5-ol;5-hydroxy-3-methyl-1-(4-tolyl)-1H-pyrazol;5-methyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-one;5-methyl-2-p-tolyl-1,2-dihydro-pyrazol-3-one;3H-PYRAZOL-3-ONE, 2,4-DIHYDRO-5-METHYL-2-(4-METHYLPHENYL);CCG-55868;YAVQZXBVUORYNQ-UHFFFAOYSA-N;NS00078893;3-methyl-1-(4-methylphenyl)-2-pyrazolin-5-one;3-methyl-1-(4'-methylphenyl)-5-pyrazolone;A841881;2,4-DIHYDRO-5-METHYL-2-(4-METHYLPHENYL)-3H-PYRAZOL-3-ONE; 3-METHYL-1-P-TOLYL-5-PYRAZOLONE;AKOS000313039;1H-PYRAZOL-5-OL, 3-METHYL-1-(4-METHYLPHENYL)-;5-methyl-2-p-tolyl-2h-pyrazol-3-ol;SCHEMBL11441588;HMS546N20;DTXSID20371688;W-204261;MFCD00828989;1-(4-TOLYL)-3-METHYL-5-PYRAZOLONE;3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-ol, AldrichCPR;1-(4'-Tolyl)-3-methyl-5-pyrazolone;AKOS006230613;2046-03-9;5-methyl-2-(p-tolyl)-1H-pyrazol-3-one;SCHEMBL486125;Maybridge1_001890;3-methyl-1-p-tolyl-1H-pyrazol-5-ol;SR-01000644870-1;35496-19-6;J-512811;FT-0633999;1-P-TOLYL-3-METHYL-5-PYRAZOLONE;5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one;3-methyl-1-(4-methylphenyl)-3-pyrazolin-5-one;5-methyl-2-(o-tolyl)pyrazol-2-ium-3-one;SDCCGMLS-0065870.P001;5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrazol-3-one;BBL040492;DB-026091;3-methyl-1-(4-methylphenyl)-5-pyrazolone;STK350545;

标识符

MDL：

MFCD00828989

InChIKey：

YAVQZXBVUORYNQ-UHFFFAOYSA-N

Inchi：

1S/C11H12N2O/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12-13/h3-7,12H,1-2H3

SMILES：

O=C1C=C(C)NN1C1C=CC(C)=CC=1

3-甲基-1-(4-甲基苯基)-1H-吡唑-5-醇(2046-03-9)物化性质

实验特性

LogP : 2.19470
PSA : 38.05000
折射率 : 1.595
沸点 : 333.1°Cat760mmHg
熔点 : 132 °C
闪点 : 155.3°C
密度 : 1.15

计算特性

精确分子量 : 188.09500
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 1
同位素质量 : 188.094963011g/mol
重原子数量 : 14
复杂度 : 265
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） : 2.2
拓扑分子极性表面积 : 32.3Å²

3-甲基-1-(4-甲基苯基)-1H-吡唑-5-醇(2046-03-9)安全信息

3-甲基-1-(4-甲基苯基)-1H-吡唑-5-醇(2046-03-9)海关数据

海关编码：

2933199090

海关数据：

中国海关编码：

2933199090

概述：

2933199090. 其他结构上有非稠合吡唑环化合物. 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：

2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-甲基-1-(4-甲基苯基)-1H-吡唑-5-醇(2046-03-9)推荐厂家更多厂家(7)

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3-甲基-1-(4-甲基苯基)-1H-吡唑-5-醇(2046-03-9)相关文献

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3-甲基-1-(4-甲基苯基)-1H-吡唑-5-醇(2046-03-9) MSDS

基础信息

Name:	3-Methyl-1-(4-methylphenyl)-1H-pyrazol-5-ol 97% Material Safety Data Sheet
Synonym:
CAS:	2046-03-9

Section 1 - Chemical Product ? MSDS Name:3-Methyl-1-(4-methylphenyl)-1H-pyrazol-5-ol 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2046-03-9	3-Methyl-1-(4-methylphenyl)-1H-pyrazol	97%	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# 2046-03-9: 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: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 132 - 133 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: C11H12N2O
Molecular Weight: 188.23

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 2046-03-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Methyl-1-(4-methylphenyl)-1H-pyrazol-5-ol - 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# 2046-03-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2046-03-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2046-03-9 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A