2-(Carboxymethylthio)-4,6-dimethylpyrimidine monohydrate
Names
[ CAS No. ]:
55749-30-9
[ Name ]:
2-(Carboxymethylthio)-4,6-dimethylpyrimidine monohydrate
[Synonym ]:
(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
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
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
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%