2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetic acid

Modify Date: 2024-01-31 00:31:30

2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetic acid Structure
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetic acid structure
Common Name 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetic acid
CAS Number 77517-13-6 Molecular Weight 260.31200
Density 1.34g/cm3 Boiling Point 471.9ºC at 760 mmHg
Molecular Formula C13H12N2O2S Melting Point N/A
MSDS N/A Flash Point 239.2ºC

 Names

Name 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.34g/cm3
Boiling Point 471.9ºC at 760 mmHg
Molecular Formula C13H12N2O2S
Molecular Weight 260.31200
Flash Point 239.2ºC
Exact Mass 260.06200
PSA 88.38000
LogP 2.62870
Index of Refraction 1.652

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AI9346000
CHEMICAL NAME :
Acetic acid, ((4-methyl-6-phenyl-2-pyrimidinyl)thio)-
CAS REGISTRY NUMBER :
77517-13-6
BEILSTEIN REFERENCE NO. :
0214479
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H12-N2-O2-S
MOLECULAR WEIGHT :
260.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

 Synthetic Route

~%

2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetic acid Structure

2-(4-methyl-6-p...

CAS#:77517-13-6

Literature: v. Merkatz Chemische Berichte, 1919 , vol. 52, p. 876

 Synonyms

F0176-0088
2-Pyrimidinethioacetic acid,4-methyl-6-phenyl
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