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

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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

Click to get detail 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Iodoacetic acid
  • 4,6-dimethyl-1H-pyrimidine-2-thione hydrochloride
  • Chloroacetic acid
  • 4,6-Dimethyl-2-thiolpyrimidine

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%

Related Compounds

  • 2-[4-(3,5-Difluorophenoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • 3-(4-Phenoxyphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
  • 2-Acetyl-6,6-dimethyl-cyclohexanone
  • 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one
  • 3-Chloro-5-cyclopropoxyisonicotinic acid
  • N1-(2-methoxy-2-(5-methylthiophen-2-yl)ethyl)-N2-(4-methoxyphenyl)oxalamide
  • 5-Cyclopropoxy-2-iodoisonicotinic acid
  • N-(2-methoxy-2-phenylbutyl)cyclopropanesulfonamide
  • 3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide
  • N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)propanamide
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