18672-07-6

18672-07-6 structure

18672-07-6 structure

Name: Ethyl 2-(4-cyanophenoxy)-2-methylpropanoate
Chemical Name: Ethyl 2-(4-cyanophenoxy)-2-methylpropanoate
CAS Number: 18672-07-6
Molecular Formula: C₁₃H₁₅NO₃
Molecular Weight: 233.26300
Create Date: 2016-06-07 16:52:42
Modify Date: 2024-04-02 12:02:07

Name	Ethyl 2-(4-cyanophenoxy)-2-methylpropanoate

Density	1.11g/cm3
Boiling Point	351ºC at 760 mmHg
Molecular Formula	C₁₃H₁₅NO₃
Molecular Weight	233.26300
Flash Point	153.3ºC
Exact Mass	233.10500
PSA	59.32000
LogP	2.27878
Vapour Pressure	4.24E-05mmHg at 25°C
Index of Refraction	1.513

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UA2458290

CHEMICAL NAME :: Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester

CAS REGISTRY NUMBER :: 18672-07-6

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H15-N-O3

MOLECULAR WEIGHT :: 233.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 47,16,1989

600-00-0 structure

600-00-0

767-00-0 structure

767-00-0

~99%

18672-07-6 structure

18672-07-6

Literature: SMITHKLINE BEECHAM CORPORATION Patent: WO2005/49578 A1, 2005 ; Location in patent: Page/Page column 59 ; WO 2005/049578 A1

2052-01-9 structure

2052-01-9

767-00-0 structure

767-00-0

~96%

18672-07-6 structure

18672-07-6

Literature: SMITHKLINE BEECHAM CORPORATION Patent: WO2005/37804 A1, 2005 ; Location in patent: Page/Page column 11 ; WO 2005/037804 A1

637-07-0 structure

637-07-0

557-21-1 structure

557-21-1

~49%

18672-07-6 structure

18672-07-6

Literature: Chobanian, Harry R.; Fors, Brett P.; Lin, Linus S. Tetrahedron Letters, 2006 , vol. 47, # 19 p. 3303 - 3305

67-66-3 structure

67-66-3

767-00-0 structure

767-00-0

67-64-1 structure

67-64-1

~%

18672-07-6 structure

18672-07-6

Literature: Witiak; Ho; Hackney; Connor Journal of medicinal chemistry, 1968 , vol. 11, # 5 p. 1086 - 1089