3,5-二甲基-1H-4-吡唑羧酸乙酯

3,5-二甲基-1H-4-吡唑羧酸乙酯 基本信息
CAS号 35691-93-1 分子式 C8H12N2O2
分子量 168.19300 精确质量  168.09000
PSA  54.98000 LogP  1.20320

基本信息 展开↓

CAS号:
35691-93-1
3D弹球模型:
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分子式:
C8H12N2O2
分子量:
168.19300
中文名称:
3,5-二甲基-1H-4-吡唑羧酸乙酯
英文名称:
Ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
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;
ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate;
Ethyl 3,5-Dimethylpyrazole-4-carboxylate
精确分子量/精确质量:
168.09000
极性分子表面积/PSA:
54.98000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
InChI=1/C8H12N2O2/c1-4-12-8(11)7-5(2)9-10-6(7)3/h4H2,1-3H3,(H,9,10)

物化性质展开↓

密度:
1.136g/cm3
熔点:
66ºC
沸点:
284.8ºC at 760mmHg
闪点:
126ºC
折射率:
1.518

安全信息展开↓

海关代码:
2933199090

合成路线查看所有的合成路线

  • 1830-94-0

    2-乙酰基-3-羟基-2-丁酸乙酯

  • ~93%

  • 35691-93-1

    3,5-二甲基-1H-4-吡唑羧酸乙酯

  • 99181-91-6

    ethyl 2-acetyl-3-ethoxybut-2-enoate

  • ~92%

  • 35691-93-1

    3,5-二甲基-1H-4-吡唑羧酸乙酯

  • 603-69-0

    二乙酰乙酸乙酯

  • ~67%

  • 35691-93-1

    3,5-二甲基-1H-4-吡唑羧酸乙酯

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ6394800
CHEMICAL NAME :
4-Pyrazolecarboxylic acid, 3,5-dimethyl-, ethyl ester
CAS REGISTRY NUMBER :
35691-93-1
BEILSTEIN REFERENCE NO. :
0123695
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H12-N2-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
LDTU** "Narkoseversuche mit Hoheren Alkoholen und Stickstoffderivaten, Dissertation," Leube, F., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1931 Volume(issue)/page/year: -,-,1931

MSDS 展开↓

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

海关数据查看详细

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
摘要/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%

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