3-(2-Cyanopropan-2-yl)benzoic acid

Modify Date: 2024-04-05 16:12:46

3-(2-Cyanopropan-2-yl)benzoic acid Structure
3-(2-Cyanopropan-2-yl)benzoic acid structure
Common Name 3-(2-Cyanopropan-2-yl)benzoic acid
CAS Number 872091-00-4 Molecular Weight 189.210
Density 1.2±0.1 g/cm3 Boiling Point 360.0±25.0 °C at 760 mmHg
Molecular Formula C11H11NO2 Melting Point N/A
MSDS N/A Flash Point 171.5±23.2 °C

 Names

Name 3-(2-cyanopropan-2-yl)benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 360.0±25.0 °C at 760 mmHg
Molecular Formula C11H11NO2
Molecular Weight 189.210
Flash Point 171.5±23.2 °C
Exact Mass 189.078979
PSA 61.09000
LogP 1.82
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.548

 Safety Information

HS Code 2926909090

 Synthetic Route

~99%

3-(2-Cyanopropan-2-yl)benzoic acid Structure

3-(2-Cyanopropa...

CAS#:872091-00-4

Literature: Galemmo, JR., Robert; Holland, Richard; Hum, Gabriel; Pajouhesh, Hossein; Chahal, Navjot; Seid-Bagherzadeh, Mehran; Girard, Amy Patent: US2009/270394 A1, 2009 ; Location in patent: Page/Page column 12 ; US 20090270394 A1

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3-(2-Cyanopropan-2-yl)benzoic acid Structure

3-(2-Cyanopropa...

CAS#:872091-00-4

Literature: WO2008/28617 A1, ; Page/Page column 46 ; WO 2008/028617 A1

 Precursor & DownStream

Precursor  1

DownStream  1

 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

Benzoic acid, 3-(1-cyano-1-methylethyl)-
rw4126
3-(2-Cyano-2-propanyl)benzoic acid
qc-3664