Ethyl 3,5-Dimethylpyrazole-4-carboxylate

Modify Date: 2024-01-10 12:54:33

Ethyl 3,5-Dimethylpyrazole-4-carboxylate Structure
Ethyl 3,5-Dimethylpyrazole-4-carboxylate structure
Common Name Ethyl 3,5-Dimethylpyrazole-4-carboxylate
CAS Number 35691-93-1 Molecular Weight 168.19300
Density 1.136g/cm3 Boiling Point 284.8ºC at 760mmHg
Molecular Formula C8H12N2O2 Melting Point 66ºC
MSDS USA Flash Point 126ºC

 Names

Name Ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.136g/cm3
Boiling Point 284.8ºC at 760mmHg
Melting Point 66ºC
Molecular Formula C8H12N2O2
Molecular Weight 168.19300
Flash Point 126ºC
Exact Mass 168.09000
PSA 54.98000
LogP 1.20320
Index of Refraction 1.518

 MSDS

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

 Toxicological Information

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

 Safety Information

HS Code 2933199090

 Synthetic Route

~67%

Ethyl 3,5-Dimethylpyrazole-4-carboxylate Structure

Ethyl 3,5-Dimet...

CAS#:35691-93-1

Literature: H. LUNDBECK A/S; ESKILDSEN, Jørgen Patent: WO2014/49133 A1, 2014 ; Location in patent: Page/Page column 44 ;

~93%

Ethyl 3,5-Dimethylpyrazole-4-carboxylate Structure

Ethyl 3,5-Dimet...

CAS#:35691-93-1

Literature: Jung, Jae-Chul; Watkins, E.Blake; Avery, Mitchell A Tetrahedron, 2002 , vol. 58, # 18 p. 3639 - 3646

~92%

Ethyl 3,5-Dimethylpyrazole-4-carboxylate Structure

Ethyl 3,5-Dimet...

CAS#:35691-93-1

Literature: Emelina, E. E.; Ermakov, N. V.; Ershov, B. A.; Zelenin, A. K. Russian Journal of Organic Chemistry, 1994 , vol. 30, # 10 p. 1637 - 1639 Zhurnal Organicheskoi Khimii, 1994 , vol. 30, # 10 p. 1554 - 1555

~32%

Ethyl 3,5-Dimethylpyrazole-4-carboxylate Structure

Ethyl 3,5-Dimet...

CAS#:35691-93-1

Literature: Russian Journal of Organic Chemistry, , vol. 30, # 10 p. 1630 - 1636 Zhurnal Organicheskoi Khimii, , vol. 30, # 10 p. 1548 - 1553

~%

Ethyl 3,5-Dimethylpyrazole-4-carboxylate Structure

Ethyl 3,5-Dimet...

CAS#:35691-93-1

Literature: Tetrahedron, , vol. 58, # 18 p. 3639 - 3646

~%

Ethyl 3,5-Dimethylpyrazole-4-carboxylate Structure

Ethyl 3,5-Dimet...

CAS#:35691-93-1

Literature: Justus Liebigs Annalen der Chemie, , vol. 279, p. 237

~%

Detail
Literature: Journal of the Indian Chemical Society, , vol. 7, p. 480 Chem. Zentralbl., , vol. 101, # II p. 3024

 Customs

HS Code 2933199090
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%

 Synonyms

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