3-Isoquinolinecarbonitrile

Modify Date: 2025-08-25 18:12:16

3-Isoquinolinecarbonitrile Structure
3-Isoquinolinecarbonitrile structure
Common Name 3-Isoquinolinecarbonitrile
CAS Number 26947-41-1 Molecular Weight 154.168
Density 1.2±0.1 g/cm3 Boiling Point 348.9±15.0 °C at 760 mmHg
Molecular Formula C10H6N2 Melting Point 126-128 °C(lit.)
MSDS N/A Flash Point 121.6±5.6 °C

 Names

Name isoquinoline-3-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 348.9±15.0 °C at 760 mmHg
Melting Point 126-128 °C(lit.)
Molecular Formula C10H6N2
Molecular Weight 154.168
Flash Point 121.6±5.6 °C
Exact Mass 154.053101
PSA 36.68000
LogP 1.74
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.654
InChIKey GXXBVBVNGMCFIU-UHFFFAOYSA-N
SMILES N#Cc1cc2ccccc2cn1

 Safety Information

Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S37/39
RIDADR 3439
WGK Germany 3
Packaging Group III
Hazard Class 6.1
HS Code 2933499090

 Synthetic Route

~90%

3-Isoquinolinecarbonitrile Structure

3-Isoquinolinec...

CAS#:26947-41-1

Literature: Langry, Kevin C. Organic Preparations and Procedures International, 1994 , vol. 26, # 4 p. 429 - 438

~%

3-Isoquinolinecarbonitrile Structure

3-Isoquinolinec...

CAS#:26947-41-1

Literature: Langry, Kevin C. Organic Preparations and Procedures International, 1994 , vol. 26, # 4 p. 429 - 438

~%

3-Isoquinolinecarbonitrile Structure

3-Isoquinolinec...

CAS#:26947-41-1

Literature: Langry, Kevin C. Organic Preparations and Procedures International, 1994 , vol. 26, # 4 p. 429 - 438

~%

3-Isoquinolinecarbonitrile Structure

3-Isoquinolinec...

CAS#:26947-41-1

Literature: Langry, Kevin C. Organic Preparations and Procedures International, 1994 , vol. 26, # 4 p. 429 - 438

~%

3-Isoquinolinecarbonitrile Structure

3-Isoquinolinec...

CAS#:26947-41-1

Literature: Crowne; Breckenridge Canadian Journal of Chemistry, 1954 , vol. 32, p. 641,644

~%

3-Isoquinolinecarbonitrile Structure

3-Isoquinolinec...

CAS#:26947-41-1

Literature: Swan Journal of the Chemical Society, 1958 , p. 2038,2039, 2042

~38%

3-Isoquinolinecarbonitrile Structure

3-Isoquinolinec...

CAS#:26947-41-1

Literature: Ameur Meziane, Mohamed Ait; Royer, Sylvain; Bazureau, Jean Pierre Tetrahedron Letters, 2001 , vol. 42, # 6 p. 1017 - 1020

 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%

 Synonyms

isoquinoline-3-carbonitrile
3-Isoquinolinecarbonitrile
3-Cyanoisoquinoline
MFCD00075136
Isochinolin-3-carbonitril
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