Introduction：Basic information about CAS 55749-30-9|2-(Carboxymethylthio)-4,6-dimethylpyrimidine monohydrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| 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 | / | 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 |
|---|
| InChIKey | ZISGTWODACVVLQ-UHFFFAOYSA-N |
|---|
| SMILES | Cc1cc(C)nc(SCC(=O)O)n1 |
|---|
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 DATAACUTE 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 |
