Cas no 26947-41-1 (Isoquinoline-3-carbonitrile)

Isoquinoline-3-carbonitrile structure

Product Name:Isoquinoline-3-carbonitrile

CAS No:26947-41-1

MF:C₁₀H₆N₂

MW:154.168041706085

MDL:MFCD00075136

CID:53045

PubChem ID:24860549

Update Time:2025-04-18

Isoquinoline-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

- 3-Isoquinolinecarbonitrile
- Isoquinoline-3-carbonitrile
- 3-Cyanoisoquinoline
- Isochinolin-3-carbonitril
- GXXBVBVNGMCFIU-UHFFFAOYSA-N
- 3-cyano-isoquinoline
- PubChem16887
- SBB056019
- FCH1116883
- AX8019858
- AB0000186
- C3070
- ST24028561
- AM20051013
- W5009
- ST50824474
- 3-Isoquinolinecarbonitrile, 99%
- MFCD00075136
- DTXSID10408098
- AKOS005206756
- FT-0627509
- 26947-41-1
- TS-02060
- J-016629
- SY062299
- CHEBI:194843
- A5281
- CS-0043954
- AC-7699
- SCHEMBL507331
- 3-Isoquinolinecarbonitrile (6CI,8CI,9CI)
- DB-000549
- DTXCID80358950
- 620-659-3
- MDL： MFCD00075136
- Inchi： 1S/C10H6N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H
- InChI Key： GXXBVBVNGMCFIU-UHFFFAOYSA-N
- SMILES： N1C(C#N)=CC2C=CC=CC=2C=1
- BRN： 114887

Computed Properties

Exact Mass: 154.05300
Monoisotopic Mass: 154.053098200g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 12
Rotatable Bond Count: 0
Complexity: 203
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Surface Charge: 0
Tautomer Count: nothing
XLogP3: 2.2
Topological Polar Surface Area: 36.7

Experimental Properties

Color/Form: Not determined
Density: 1.21
Melting Point: 126-128?°C (lit.)
Boiling Point: 348.9°C at 760 mmHg
Flash Point: 121.6 °C
Refractive Index: 1.654
Water Partition Coefficient: Insoluble in water.
PSA: 36.68000
LogP: 2.10648
Solubility: Not determined

Isoquinoline-3-carbonitrile Security Information

Symbol:
Signal Word：Warning
Hazard Statement： H302-H312-H315-H319-H332-H335
Warning Statement： P261-P280-P305+P351+P338
Hazardous Material transportation number：3439
WGK Germany：3
Hazard Category Code： 20/21/22-36/37/38
Safety Instruction： S26-S37/39
Hazardous Material Identification：
HazardClass：6.1
PackingGroup：III
Storage Condition：Sealed in dry,Room Temperature
Packing Group：III
Hazard Level：6.1
Risk Phrases：R20/21/22; R36/37/38
Packing Group：III
Safety Term：6.1

Isoquinoline-3-carbonitrile Customs Data

HS CODE：2933499090
Customs Data：

China Customs Code:
2933499090

Overview:

2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

Declaration elements:

Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

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%

Isoquinoline-3-carbonitrile Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	I169173-1g	Isoquinoline-3-carbonitrile	26947-41-1	98%	1g	￥353.90	2023-09-02
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	I169173-250mg	Isoquinoline-3-carbonitrile	26947-41-1	98%	250mg	￥135.90	2023-09-02
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	I169173-5g	Isoquinoline-3-carbonitrile	26947-41-1	98%	5g	￥1312.90	2023-09-02
Fluorochem	068841-1g	Isoquinoline-3-carbonitrile	26947-41-1	97%	1g	￡52.00	2022-03-01
Fluorochem	068841-5g	Isoquinoline-3-carbonitrile	26947-41-1	97%	5g	￡169.00	2022-03-01
Fluorochem	068841-10g	Isoquinoline-3-carbonitrile	26947-41-1	97%	10g	￡279.00	2022-03-01
Fluorochem	068841-250mg	Isoquinoline-3-carbonitrile	26947-41-1	97%	250mg	￡31.00	2022-03-01
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.	338532-1G	Isoquinoline-3-carbonitrile	26947-41-1		1g	￥2070.89	2023-12-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-MM446-1g	Isoquinoline-3-carbonitrile	26947-41-1	98%	1g	￥509.0	2022-07-28
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-MM446-250mg	Isoquinoline-3-carbonitrile	26947-41-1	98%	250mg	239CNY	2021-05-10

Isoquinoline-3-carbonitrile Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:26947-41-1)Isoquinoline-3-carbonitrile

Order Number:A5281

Stock Status:in Stock

Quantity:25g

Purity:99%

Pricing Information Last Updated:Monday, 2 September 2024 16:03

Price ($):357.0

Email:[email protected]

Product Official Link

Isoquinoline-3-carbonitrile Related Literature

1. Competitive intramolecular C–C vs. C–O bond coupling reactions toward C6 ring-fused 2-pyridone synthesis

T. Lepitre,C. Pintiala,K. Muru,S. Comesse,A. Rebbaa,A. M. Lawson,A. Da?ch Org. Biomol. Chem. 2016 14 3564
2. A domino green method for the rapid synthesis of novel fused isoquinoline derivatives via Knoevenagel/Michael/cyclization reactions on aqueous media and their photophysical properties

Nandigama Satish Kumar,L. Chandrasekhara Rao,N. Jagadeesh Babu,H. M. Meshram RSC Adv. 2015 5 95539
3. Copper(I)-promoted cycloaddition reactions of pyridine-2-carbonitrile, 2-pyridylacetonitrile and isoquinoline-3-carbonitrile with ketones

Megumu Munakata,Susumu Kitagawa,Tsunehiko Emori J. Chem. Soc. Chem. Commun. 1991 1244
4. Copper-mediated oxidative [3 + 2]-annulation of nitroalkenes and pyridinium ylides: general access to functionalized indolizines and efficient synthesis of 1-fluoroindolizines

Vladimir A. Motornov,Andrey A. Tabolin,Yulia V. Nelyubina,Valentine G. Nenajdenko,Sema L. Ioffe Org. Biomol. Chem. 2019 17 1442
5. Subject index, 1991

J. Chem. Soc. Chem. Commun. 1991 S1

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