Cas no 7186-98-3 (3-(5-nitro-2-furanyl)-2-Propenenitrile)
7186-98-3 structure
Product Name:3-(5-nitro-2-furanyl)-2-Propenenitrile
CAS No:7186-98-3
MF:C7H4N2O3
MW:164.11826133728
CID:1116565
PubChem ID:6365195
Update Time:2025-04-20
3-(5-nitro-2-furanyl)-2-Propenenitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-(5-nitro-2-furanyl)-2-Propenenitrile
- 2-Propenenitrile, 3-(5-nitro-2-furanyl)-
- (E)-3-(5-nitrofuran-2-yl)prop-2-enenitrile
- beta-(5-nitro-2-furyl)-alpha-cyanoethylene
- 7186-98-3
-
- Inchi： 1S/C7H4N2O3/c8-5-1-2-6-3-4-7(12-6)9(10)11/h1-4H/b2-1+
- InChI Key： WCPYCTGNBUHOOF-OWOJBTEDSA-N
- SMILES： O1C(=CC=C1/C=C/C#N)[N+](=O)[O-]
Computed Properties
- Exact Mass: 164.02222
- Monoisotopic Mass: 164.02219199g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 247
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 82.8?2
Experimental Properties
- Density: 1.385
- Boiling Point: 315°C at 760 mmHg
- Flash Point: 144.3°C
- Refractive Index: 1.607
- PSA: 80.07
3-(5-nitro-2-furanyl)-2-Propenenitrile Related Literature
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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