ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate
Names
[ CAS No. ]:
774-07-2
[ Name ]:
ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate
[Synonym ]:
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
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
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
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%