2-(Carboxymethylthio)-4,6-dimethylpyrimidine monohydrate

Modify Date: 2024-01-13 11:45:33

2-(Carboxymethylthio)-4,6-dimethylpyrimidine monohydrate Structure
2-(Carboxymethylthio)-4,6-dimethylpyrimidine monohydrate structure
Common Name 2-(Carboxymethylthio)-4,6-dimethylpyrimidine monohydrate
CAS Number 55749-30-9 Molecular Weight 216.25700
Density 1.32g/cm3 Boiling Point 378.5ºC at 760mmHg
Molecular Formula C8H12N2O3S Melting Point 128-131 °C
MSDS N/A Flash Point 182.7ºC

 Names

Name 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.32g/cm3
Boiling Point 378.5ºC at 760mmHg
Melting Point 128-131 °C
Molecular Formula C8H12N2O3S
Molecular Weight 216.25700
Flash Point 182.7ºC
Exact Mass 216.05700
PSA 97.61000
LogP 1.20580

 MSDS

Name: 2-(Carboxymethylthio)-4 6-dimethylpyrimidine monohydrate 99% Material Safety Data Sheet
Synonym: [(4,6-Dimethylpyrimidine-2-yl)thio]acetic acid; 2-Pyrimidinethioacetic acid, 4,6-dimethyl-; 4,6-Dimethylpyrimidin-2-ylmercaptoacetic acid; Acetic acid, (4,6-dimethylpyrimidin-2-ylthio)
CAS: 55749-30-9
Section 1 - Chemical Product MSDS Name:2-(Carboxymethylthio)-4 6-dimethylpyrimidine monohydrate 99% Material Safety Data Sheet
Synonym:[(4,6-Dimethylpyrimidine-2-yl)thio]acetic acid; 2-Pyrimidinethioacetic acid, 4,6-dimethyl-; 4,6-Dimethylpyrimidin-2-ylmercaptoacetic acid; Acetic acid, (4,6-dimethylpyrimidin-2-ylthio)

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
55749-30-9 2-(Carboxymethylthio)-4,6-dimethylpyri 99 259-790-2
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: Immediately 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 55749-30-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: off-white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C8H10N2O2S.H2O
Molecular Weight: 216.27

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 55749-30-9: AH1850000 LD50/LC50:
Not available.
Carcinogenicity:
2-(Carboxymethylthio)-4,6-dimethylpyrimidine monohydrate - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 55749-30-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 55749-30-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 55749-30-9 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 :
AH1850000
CHEMICAL NAME :
Acetic acid, (4,6-dimethylpyrimidin-2-ylthio)-
CAS REGISTRY NUMBER :
55749-30-9
BEILSTEIN REFERENCE NO. :
0161800
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H10-N2-O2-S
MOLECULAR WEIGHT :
198.26
WISWESSER LINE NOTATION :
T6N CNJ BS1VQ D1 F1

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 :
180 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#04543
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAVUAI Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. (Izdatel'stvo Naukova Dumka, Kiev, USSR) No.1- 1966- Volume(issue)/page/year: 18,75,1986

 Safety Information

Hazard Codes Xi: Irritant;
Safety Phrases S24/25
HS Code 2933599090

 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

(4,6-Dimethyl-pyrimidin-2-ylmercapto)-essigsaeure
4,6-Dimethylpyrimidin-2-ylmercaptoacetic acid
EINECS 259-790-2
4,6-dimethyl-2-(carboxymethylthio)pyrimidine
2-(4,6-dimethylpyrimidin-2-ylthio)acetic acid
(4,6-Dimethylpyrimidin-2-ylsulfanyl)acetic acid
(4,6-Dimethyl-2-pyrimidinylthio)acetic Acid
2-(3-FLUOROPHENYL)-QUINOLINE-4-CARBOXYLIC ACID
2-[(4,6-dimethylpyrimidinyl)-2-thio]acetic acid
[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid
2-Pyrimidinethioacetic acid,4,6-dimethyl
MFCD00150584