ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate

Modify Date: 2024-01-02 20:30:55

ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate Structure
ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate structure
Common Name ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate
CAS Number 774-07-2 Molecular Weight 199.230
Density 1.4±0.1 g/cm3 Boiling Point 386.0±45.0 °C at 760 mmHg
Molecular Formula C7H9N3O2S Melting Point 261-263°C
MSDS N/A Flash Point 187.2±28.7 °C

 Names

Name Ethyl 4-Amino-2-Mercaptopyrimidine-5-Carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 386.0±45.0 °C at 760 mmHg
Melting Point 261-263°C
Molecular Formula C7H9N3O2S
Molecular Weight 199.230
Flash Point 187.2±28.7 °C
Exact Mass 199.041550
PSA 116.90000
LogP -0.76
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.624
Storage condition -20°C Freezer

 MSDS

Name: Ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate 97% Material Safety Data Sheet
Synonym:
CAS: 774-07-2
Section 1 - Chemical Product MSDS Name:Ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
774-07-2 Ethyl 4-amino-2-mercaptopyrimidine-5-c 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# 774-07-2: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 261 - 263 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: C7H9N3O2S
Molecular Weight: 199.23

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 774-07-2: UV7720000 LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate - 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
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# 774-07-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 774-07-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 774-07-2 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 :
UV7720000
CHEMICAL NAME :
5-Pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester
CAS REGISTRY NUMBER :
774-07-2
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H9-N3-O2-S
MOLECULAR WEIGHT :
199.25
WISWESSER LINE NOTATION :
T6N CNJ BSH DZ EVO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03521

 Safety Information

Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36
RTECS UV7720000
HS Code 2933599090

 Synthetic Route

~74%

ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate Structure

ethyl 4-amino-2...

CAS#:774-07-2

Literature: Scherbinina; Dar'In; Lobanov Chemistry of Heterocyclic Compounds, 2010 , vol. 46, # 9 p. 1109 - 1115

~%

ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate Structure

ethyl 4-amino-2...

CAS#:774-07-2

Literature: Journal of the American Chemical Society, , vol. 78, p. 5294,5296 Journal of Organic Chemistry, , vol. 21, p. 567,571 Journal of the American Chemical Society, , vol. 67, p. 2197,2200 Org.Synth.Coll.Vol.IV <1963>566

 Customs

HS Code 2933599090
Summary 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

5-Pyrimidinecarboxylic acid, 4-amino-1,2-dihydro-2-thioxo-, ethyl ester
MFCD00023227
5-pyrimidinecarboxylic acid, 6-amino-1,2-dihydro-2-thioxo-, ethyl ester
ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate
5-Pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester
ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate
ethyl 4-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate
Ethyl 4-amino-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate
ethyl 6-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate