Methyl 3-bromo-5-cyanobenzoate

Modify Date: 2024-01-08 13:54:01

Methyl 3-bromo-5-cyanobenzoate Structure
Methyl 3-bromo-5-cyanobenzoate structure
Common Name Methyl 3-bromo-5-cyanobenzoate
CAS Number 453566-15-9 Molecular Weight 240.053
Density 1.6±0.1 g/cm3 Boiling Point 301.3±27.0 °C at 760 mmHg
Molecular Formula C9H6BrNO2 Melting Point N/A
MSDS N/A Flash Point 136.0±23.7 °C

 Names

Name Methyl 3-bromo-5-cyanobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.6±0.1 g/cm3
Boiling Point 301.3±27.0 °C at 760 mmHg
Molecular Formula C9H6BrNO2
Molecular Weight 240.053
Flash Point 136.0±23.7 °C
Exact Mass 238.958176
PSA 50.09000
LogP 2.21
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.587

 Safety Information

Hazard Codes T+
RIDADR 3439.0
HS Code 2926909090

 Synthetic Route

~96%

Methyl 3-bromo-5-cyanobenzoate Structure

Methyl 3-bromo-...

CAS#:453566-15-9

Literature: FOVEA PHARMACEUTICALS; FEUTRILL, John; LERICHE, Caroline; MIDDLEMISS, David Patent: WO2013/37705 A2, 2013 ; Location in patent: Page/Page column 139 ; WO 2013/037705 A2

~61%

Methyl 3-bromo-5-cyanobenzoate Structure

Methyl 3-bromo-...

CAS#:453566-15-9

Literature: Wagenen, Bradford Van; Stormann, Thomas M.; Moe, Scott T.; Sheehan, Susan M.; McLeod, Donald A.; Smith, Daryl L.; Isaac, Methvin Benjamin; Slassi, Abdelmalik Patent: US2003/55085 A1, 2003 ; US 20030055085 A1

~%

Methyl 3-bromo-5-cyanobenzoate Structure

Methyl 3-bromo-...

CAS#:453566-15-9

Literature: FOVEA PHARMACEUTICALS; FEUTRILL, John; LERICHE, Caroline; MIDDLEMISS, David Patent: WO2013/37705 A2, 2013 ; WO 2013/037705 A2

~%

Methyl 3-bromo-5-cyanobenzoate Structure

Methyl 3-bromo-...

CAS#:453566-15-9

Literature: FOVEA PHARMACEUTICALS; FEUTRILL, John; LERICHE, Caroline; MIDDLEMISS, David Patent: WO2013/37705 A2, 2013 ; WO 2013/037705 A2

~%

Methyl 3-bromo-5-cyanobenzoate Structure

Methyl 3-bromo-...

CAS#:453566-15-9

Literature: FOVEA PHARMACEUTICALS; FEUTRILL, John; LERICHE, Caroline; MIDDLEMISS, David Patent: WO2013/37705 A2, 2013 ; WO 2013/037705 A2

~%

Methyl 3-bromo-5-cyanobenzoate Structure

Methyl 3-bromo-...

CAS#:453566-15-9

Literature: FOVEA PHARMACEUTICALS; FEUTRILL, John; LERICHE, Caroline; MIDDLEMISS, David Patent: WO2013/37705 A2, 2013 ; WO 2013/037705 A2

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

Methyl 3-bromo-5-cyanobenzoate
Benzoic acid, 3-bromo-5-cyano-, methyl ester