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35691-93-1

35691-93-1 structure
35691-93-1 structure

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

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
HS Code 2933199090

~67%

35691-93-1 structure

35691-93-1

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

~93%

35691-93-1 structure

35691-93-1

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

~92%

35691-93-1 structure

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%

35691-93-1 structure

35691-93-1

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

~%

35691-93-1 structure

35691-93-1

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

~%

35691-93-1 structure

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
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%