3-Oxopentanenitrile

Modify Date: 2024-01-01 23:41:34

3-Oxopentanenitrile Structure
3-Oxopentanenitrile structure
Common Name 3-Oxopentanenitrile
CAS Number 33279-01-5 Molecular Weight 97.11520
Density 0.956g/cm3 Boiling Point 146.1ºC at 760mmHg
Molecular Formula C5H7NO Melting Point 27-30 °C
MSDS N/A Flash Point 42.2ºC

 Names

Name 3-oxopentanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.956g/cm3
Boiling Point 146.1ºC at 760mmHg
Melting Point 27-30 °C
Molecular Formula C5H7NO
Molecular Weight 97.11520
Flash Point 42.2ºC
Exact Mass 97.05280
PSA 40.86000
LogP 0.87918
Index of Refraction 1.41

 Safety Information

Hazard Codes T: Toxic;
RIDADR UN3276
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

~79%

3-Oxopentanenitrile Structure

3-Oxopentanenitrile

CAS#:33279-01-5

Literature: ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2007/99317 A1, 2007 ; Location in patent: Page/Page column 105 ; WO 2007/099317 A1

~10%

3-Oxopentanenitrile Structure

3-Oxopentanenitrile

CAS#:33279-01-5

Literature: Ji, Yaohui; Trenkle, William C.; Vowles, James V. Organic Letters, 2006 , vol. 8, # 6 p. 1161 - 1163

~53%

3-Oxopentanenitrile Structure

3-Oxopentanenitrile

CAS#:33279-01-5

Literature: DOMAIN THERAPEUTICS; MAYER, Stanislas; SCHANN, Stephan Patent: WO2013/174822 A1, 2013 ; Location in patent: Page/Page column 94 ;

~0%

3-Oxopentanenitrile Structure

3-Oxopentanenitrile

CAS#:33279-01-5

Literature: Uchikawa, Osamu; Mitsui, Keita; Asakawa, Akiko; Morimoto, Shigeru; Yamamoto, Masataka; Kimura, Hiroyuki; Moriya, Takeo; Mizuno, Masahiro Patent: US2003/187014 A1, 2003 ;

~85%

3-Oxopentanenitrile Structure

3-Oxopentanenitrile

CAS#:33279-01-5

Literature: Yao, Chunxiang; Cuadrado-Peinado, Maria L.; Polasek, Miroslav; Turecek, Frantisek Journal of Mass Spectrometry, 2005 , vol. 40, # 11 p. 1417 - 1428

~64%

3-Oxopentanenitrile Structure

3-Oxopentanenitrile

CAS#:33279-01-5

Literature: Mitsudome, Takato; Yoshida, Syuhei; Mizugaki, Tomoo; Jitsukawa, Koichiro; Kaneda, Kiyotomi Angewandte Chemie - International Edition, 2013 , vol. 52, # 23 p. 5961 - 5964 Angew. Chem., 2013 , vol. 125, # 23 p. 6077 - 6080,4

~%

3-Oxopentanenitrile Structure

3-Oxopentanenitrile

CAS#:33279-01-5

Literature: Chem. Zentralbl., , vol. 72, # I p. 95 Chem. Zentralbl., , vol. 71, # I p. 1123

~%

3-Oxopentanenitrile Structure

3-Oxopentanenitrile

CAS#:33279-01-5

Literature: Chem. Zentralbl., , vol. 72, # I p. 95

 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

Propionylacetonitrile
Pentanenitrile,3-oxo
3-OXO-PENTANENITRILE
cyanomethyl ethyl ketone
Propanoylacetonitrile
MFCD07367087
1-Cyanobutan-2-one
3-oxopentanonitrile
3-oxapentanenitrile