Cas no 110013-89-3 (Benzeneacetonitrile,3(or 4)-ethenyl- (9CI))
110013-89-3 structure
Product Name:Benzeneacetonitrile,3(or 4)-ethenyl- (9CI)
CAS No:110013-89-3
MF:C10H9N
MW:143.185162305832
CID:174120
PubChem ID:145465
Update Time:2025-04-19
Benzeneacetonitrile,3(or 4)-ethenyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile,3(or 4)-ethenyl- (9CI)
- 2-(3-ethenylphenyl)acetonitrile
- (3-Vinylphenyl)acetonitrile
- AC1L3R8R
- ACMC-20mct6
- AG-D-27149
- CTK4A6748
- SureCN1022431
- VBRWJLQEFUANAQ-UHFFFAOYSA-N
- (3-Vinylphenyl)acetonitrile #
- SCHEMBL1022431
- AKOS006314044
- 110013-89-3
- DTXSID30149113
-
- Inchi： 1S/C10H9N/c1-2-9-4-3-5-10(8-9)6-7-11/h2-5,8H,1,6H2
- InChI Key： VBRWJLQEFUANAQ-UHFFFAOYSA-N
- SMILES： N#CCC1C=CC=C(C=C)C=1
Computed Properties
- Exact Mass: 143.07357
- Monoisotopic Mass: 143.073
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 175
- 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
- XLogP3: 2.4
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- Density: 1.011
- Boiling Point: 263.8°C at 760 mmHg
- Flash Point: 126.7°C
- Refractive Index: 1.572
- PSA: 23.79
- LogP: 2.39568
Benzeneacetonitrile,3(or 4)-ethenyl- (9CI) Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
110013-89-3 (Benzeneacetonitrile,3(or 4)-ethenyl- (9CI)) Related Products
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