1-Isoquinolinecarbonitrile,1,2-dihydro-2-(phenylsulfonyl)

Modify Date: 2026-07-01 09:53:02

1-Isoquinolinecarbonitrile,1,2-dihydro-2-(phenylsulfonyl) Structure
1-Isoquinolinecarbonitrile,1,2-dihydro-2-(phenylsulfonyl) structure
Common Name 1-Isoquinolinecarbonitrile,1,2-dihydro-2-(phenylsulfonyl)
CAS Number 1035-19-4 Molecular Weight 296.34400
Density 1.4g/cm3 Boiling Point 542.6ºC at 760mmHg
Molecular Formula C16H12N2O2S Melting Point N/A
MSDS N/A Flash Point 282ºC

 Names

Name 2-(benzenesulfonyl)-1H-isoquinoline-1-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4g/cm3
Boiling Point 542.6ºC at 760mmHg
Molecular Formula C16H12N2O2S
Molecular Weight 296.34400
Flash Point 282ºC
Exact Mass 296.06200
PSA 69.55000
LogP 3.94518
Vapour Pressure 7.76E-12mmHg at 25°C
Index of Refraction 1.69
InChIKey ZVRQOAPRTHETGA-UHFFFAOYSA-N
SMILES N#CC1c2ccccc2C=CN1S(=O)(=O)c1ccccc1

 Safety Information

HS Code 2933499090

 Synthetic Route

~63%

1-Isoquinolinecarbonitrile,1,2-dihydro-2-(phenylsulfonyl) Structure

1-Isoquinolinec...

CAS#:1035-19-4

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Literature: Jones, Raymond C. F.; Smallridge, Mark J.; Chapleo, Christopher B. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1990 , # 2 p. 385 - 391

 Customs

HS Code 2933499090
Summary 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

View more

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

2-Benzolsulfonyl-1,2-dihydro-isochinolin-1-carbonitril
2-(phenylsulfonyl)-1,2-dihydroisoquinoline-1-carbonitrile
2-phenylsulphonyl-1,2-dihydroisoquinoline-1-carbonitrile
N-Benzenesulfonyl-1,2-dihydroisoquinaldonitrile
2-benzenesulfonyl-1,2-dihydro-isoquinoline-1-carbonitrile
2-Phenylsulfonyl-1,2-dihydro-isochinolin-carbonsaeure-(1)-nitril
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