77517-13-6

77517-13-6 structure

77517-13-6 structure

Name: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetic acid
Chemical Name: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetic acid
CAS Number: 77517-13-6
Molecular Formula: C₁₃H₁₂N₂O₂S
Molecular Weight: 260.31200
Create Date: 2016-11-19 14:57:43
Modify Date: 2024-01-31 00:31:30

Name	2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetic acid
Synonyms	F0176-0088 2-Pyrimidinethioacetic acid,4-methyl-6-phenyl

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

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

79-11-8 structure

79-11-8

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77517-13-6 structure

77517-13-6

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