35691-93-1 (3,5-二甲基吡唑-4-甲酸乙酯,Ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate)

快速询单

结构式：

3,5-二甲基吡唑-4-甲酸乙酯MOL文件

CAS号：

35691-93-1

中文名称：

3,5-二甲基吡唑-4-甲酸乙酯

英文名称：

Ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate

分子式：

C₈H₁₂N₂O₂

分子量：

168.193081855774

3,5-二甲基吡唑-4-甲酸乙酯(35691-93-1)名称与标识符

名称

中文别名：

3,5-二甲基-1H-4-吡唑羧酸乙酯;3,5-二甲基吡唑-4-甲酸乙酯;

英文别名：

Ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate;1H-Pyrazole-4-carboxylicacid, 3,5-dimethyl-, ethyl ester;3,5-dimethylpyrazole-4-carboxylicacidethylester;Ethyl 3,5-dimethyl-1H-4-pyrazolecarboxylate;Ethyl 3,5-dimethyl-1h-4-pyrazolecarboxylate;Ethyl 3,5-Dimethylpyrazole-4-carboxylate;3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;4-Pyrazolecarboxylic acid, 3,5-dimethyl-, ethyl ester;3,5-Dimethylpyrazole-4-carboxylic acid ethyl ester;3.5. Dimethylpyrazol 4-carbonsaeureaethyl ester [German];3.5. Dimethylpyrazol 4-carbonsaeureaethyl ester;BCKARVLFIJPHQU-UHFFFAOYSA-N;1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-, ethyl es;35691-93-1;AE-848/30748041;CHEMBL506972;A822943;Pyrazole carboxylic ester 2;MFCD00159638;FT-0679972;DEE;AC-9356;AB04188;3,5-dimethyl-4-ethoxycarbonylpyrazole;SCHEMBL353564;CS-0130334;ethyl-3,5-dimethyl-1h-4-pyrazolecarboxylate;5-25-04-00140 (Beilstein Handbook Reference);Q27095091;Ethyl 3 pound not5-Dimethylpyrazole-4-carboxylate;PD006348;Maybridge1_007838;BRN 0123695;UNII-SS3UNU86DP;SS3UNU86DP;HMS563M06;Pyrazole-4-carboxylic acid, 3,6-dimethyl-, ethyl ester;1y2b;SY006731;J-520829;AKOS004902412;BDBM14779;NS00068218;3,5-DiMethylpyrazole-4-carboxylicacid ethyl ester;AM803772;1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-, ethyl ester;Ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate, AldrichCPR;Z1201619441;Ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate #;10X-0839;DTXSID80189206;DB04271;HMS3604G06;EN300-100575;DB-026565;ETHYL3,5-DIMETHYL-1H-4-PYRAZOLECARBOXYLATE;STK400197;

标识符

MDL：

MFCD00159638

InChIKey：

BCKARVLFIJPHQU-UHFFFAOYSA-N

Inchi：

1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-10-6(7)3/h4H2,1-3H3,(H,9,10)

SMILES：

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

BRN：

0123695

3,5-二甲基吡唑-4-甲酸乙酯(35691-93-1)物化性质

实验特性

LogP : 1.20320
PSA : 54.98000
折射率 : 1.518
沸点 : 284.8℃ at 760mmHg
熔点 : 66 °C
闪点 : 126℃
密度 : 1.136

计算特性

精确分子量 : 168.09000
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 3
同位素质量 : 168.09
重原子数量 : 12
复杂度 : 172
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
拓扑分子极性表面积 : 55
分子量 : 168.19

3,5-二甲基吡唑-4-甲酸乙酯(35691-93-1)安全信息

HazardClass： IRRITANT

3,5-二甲基吡唑-4-甲酸乙酯(35691-93-1)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%

3,5-二甲基吡唑-4-甲酸乙酯(35691-93-1)推荐厂家更多厂家(22)

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3,5-二甲基吡唑-4-甲酸乙酯(35691-93-1)上下游

3,5-二甲基-吡唑-4-羧酸无水醋酸钠乙酰乙酸乙酯 4-氯-5-苯基噻酚[2,3-d]嘧啶盐酸氨基脲双乙酰乙酸乙酯 2-Butenoic acid, 2-acetyl-3-ethoxy-, ethyl ester

3,5-二甲基吡唑-4-甲酸乙酯(35691-93-1) MSDS

基础信息

Name:	Ethyl 3 5-dimethyl-1H-4-pyrazolecarboxylate Material Safety Data Sheet
Synonym:
CAS:	35691-93-1

Section 1 - Chemical Product ? MSDS Name:Ethyl 3 5-dimethyl-1H-4-pyrazolecarboxylate Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
35691-93-1	Ethyl 3,5-dimethyl-1H-4-pyrazolecarbox	97+%	unlisted

Hazard Symbols: XN
Risk Phrases: 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation.
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:

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# 35691-93-1: 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: 95 - 96 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: C8H12N2O2
Molecular Weight: 168.2

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
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# 35691-93-1: UQ6394800 LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 3,5-dimethyl-1H-4-pyrazolecarboxylate - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 35691-93-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 35691-93-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 35691-93-1 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A