3-Cyanophthalide

Modify Date: 2025-08-23 13:52:00

3-Cyanophthalide Structure
3-Cyanophthalide structure
 Common Name 3-Cyanophthalide
CAS Number 27613-27-0 Molecular Weight 159.14100
Density N/A Boiling Point N/A
Molecular Formula C9H5NO2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-oxo-1H-2-benzofuran-1-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C9H5NO2
Molecular Weight 159.14100
Exact Mass 159.03200
PSA 50.09000
LogP 1.42168
InChIKey PUIVIZQHTBRFTR-UHFFFAOYSA-N
SMILES N#CC1OC(=O)c2ccccc21

 Safety Information

HS Code 2932209090

 Synthetic Route

1(3H)-Isobenzofuranone, 3-hydroxy- structure

1(3H)-Isobenzof...

CAS#:16859-59-9

~77%

3-Cyanophthalide Structure

3-Cyanophthalide

CAS#:27613-27-0

Literature: Bristol-Myers Squibb Company; CHOWDARI, Naidu S.; Gangwar, Sanjeev; Sufi, Bilal Patent: US2013/209494 A1, 2013 ; Location in patent: Page/Page column ;
1(3H)-Isobenzofuranone, 3-hydroxy- structure

1(3H)-Isobenzof...

CAS#:16859-59-9

POTASSIUM CYANIDE structure

POTASSIUM CYANIDE

CAS#:151-50-8

~86%

3-Cyanophthalide Structure

3-Cyanophthalide

CAS#:27613-27-0

Literature: Li, Yi; Linden, Anthony; Hesse, Manfred Helvetica Chimica Acta, 2003 , vol. 86, # 3 p. 579 - 591
Methyl 2-formylbenzoate structure

Methyl 2-formyl...

CAS#:4122-56-9

Acetone cyanohydrin structure

Acetone cyanohydrin

CAS#:75-86-5

~54%

3-Cyanophthalide Structure

3-Cyanophthalide

CAS#:27613-27-0

Literature: Sakulsombat, Morakot; Angelin, Marcus; Ramstroem, Olof Tetrahedron Letters, 2010 , vol. 51, # 1 p. 75 - 78
Phthalide structure

Phthalide

CAS#:87-41-2

Sodium cyanide structure

Sodium cyanide

CAS#:143-33-9

~93%

3-Cyanophthalide Structure

3-Cyanophthalide

CAS#:27613-27-0

Literature: Cao; Chen; Pei Synthetic Communications, 2001 , vol. 31, # 14 p. 2203 - 2207
POTASSIUM CYANIDE structure

POTASSIUM CYANIDE

CAS#:151-50-8

2-Carboxybenzaldehyde structure

2-Carboxybenzal...

CAS#:119-67-5

~95%

3-Cyanophthalide Structure

3-Cyanophthalide

CAS#:27613-27-0

Literature: Crawley, Matthew L.; Hein, Karl J.; Markgraf, J. Hodge Journal of Chemical Research - Part S, 2003 , # 8 p. 470 - 471
2-(cyano((trimethylsilyl)oxy)methyl)-N,N-diethylbenzamide structure

2-(cyano((trime...

CAS#:113232-67-0

~%

3-Cyanophthalide Structure

3-Cyanophthalide

CAS#:27613-27-0

Literature: Okazaki, Kousuke; Nomura, Keiichi; Yoshii, Eiichi Synthetic Communications, 1987 , vol. 17, # 9 p. 1021 - 1028
N,N-DIETHYLBENZAMIDE structure

N,N-DIETHYLBENZAMIDE

CAS#:1696-17-9

~%

3-Cyanophthalide Structure

3-Cyanophthalide

CAS#:27613-27-0

Literature: Okazaki, Kousuke; Nomura, Keiichi; Yoshii, Eiichi Synthetic Communications, 1987 , vol. 17, # 9 p. 1021 - 1028
2-formyl-N,N-diethyl-1-benzamide structure

2-formyl-N,N-di...

CAS#:77420-44-1

~%

3-Cyanophthalide Structure

3-Cyanophthalide

CAS#:27613-27-0

Literature: Okazaki, Kousuke; Nomura, Keiichi; Yoshii, Eiichi Synthetic Communications, 1987 , vol. 17, # 9 p. 1021 - 1028
2-(cyano(hydroxy)methyl)benzoic acid structure

2-(cyano(hydrox...

CAS#:94930-53-7

~%

3-Cyanophthalide Structure

3-Cyanophthalide

CAS#:27613-27-0

Literature: Freskos, John N.; Morrow, Gary W.; Swenton, John S. Journal of Organic Chemistry, 1985 , vol. 50, # 6 p. 805 - 810

 Customs

HS Code 2932209090
Summary 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

3-oxo-1,3-dihydroisobenzofuran-1-carbonitrile
3-Cyano-3H-isobenzofuranone
cyanophthalide
3-cyanophthalide
3-oxo-1H-isobenzofuran-1-carbonitrile
1,3-Dihydro-3-oxo-1-isobenzofurancarbonitrile,3-Cyano-3H-isobenzofuranone
3-oxo-1,3-dihydro-2-benzofuran-1-carbonitrile
1,3-Dihydro-3-oxo-1-isobenzofurancarbonitrile
1,3-dihydro-3-oxoisobenzofuran-1-carbonitrile
isobenzofuran-1(3H)-one-3-carbonitrile
3-cyano-1(3H)-isobenzofuranone
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