Cas no 7659-47-4 (Butanenitrile,4-chloro-3-methyl-)
7659-47-4 structure
Product Name:Butanenitrile,4-chloro-3-methyl-
Butanenitrile,4-chloro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Butanenitrile,4-chloro-3-methyl-
- 4-chloro-3-methylbutanenitrile
- 4-chloro-3-methylbutyronitrile
- 1-Cyan-3-chlor-2-methylpropan
- 3-chloro-2-methylpropylcyanide
- NSC 76586
- SCHEMBL9176570
- NSC76586
- DTXSID101306555
- AKOS006386924
- 7659-47-4
- EINECS 231-625-9
- NS00045563
- NSC-76586
-
- Inchi： 1S/C5H8ClN/c1-5(4-6)2-3-7/h5H,2,4H2,1H3
- InChI Key： XRNJHVNFTYNNAO-UHFFFAOYSA-N
- SMILES： ClCC(C)CC#N
Computed Properties
- Exact Mass: 117.03500
- Monoisotopic Mass: 117.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 81.3
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- Density: 1.011
- Boiling Point: 197.9°C at 760 mmHg
- Flash Point: 74°C
- Refractive Index: 1.428
- PSA: 23.79000
- LogP: 1.77498
Butanenitrile,4-chloro-3-methyl- Related Literature
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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