Cas no 17686-39-4 (Pentyl cyanoacetate)
Pentyl cyanoacetate structure
Product Name:Pentyl cyanoacetate
Pentyl cyanoacetate Chemical and Physical Properties
Names and Identifiers
-
- Pentyl cyanoacetate
- Pentyl 2-cyanoacetate
- Cyan-essigsaeure-pentylester
- Cyanoacetic acid amyl ester
- Cyanoacetic acid pentyl ester
- Einecs 241-669-0
- AKOS022283294
- NS00054835
- SCHEMBL2855420
- DTXSID90938863
- 17686-39-4
-
- Inchi: 1S/C8H13NO2/c1-2-3-4-7-11-8(10)5-6-9/h2-5,7H2,1H3
- InChI Key: OCJMNSVWIYIHRK-UHFFFAOYSA-N
- SMILES: O(C(CC#N)=O)CCCCC
Computed Properties
- Exact Mass: 155.09500
- Monoisotopic Mass: 155.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 157
- 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
- Topological Polar Surface Area: 50.1A^2
- XLogP3: 1.8
Experimental Properties
- Color/Form: Colorless transparent liquid
- Density: 0.985
- Boiling Point: 219.7 °C at 760 mmHg
- Flash Point: 93.1 °C
- Refractive Index: 1.431
- PSA: 50.09000
- LogP: 1.63348
Pentyl cyanoacetate Customs Data
- HS CODE:2926909090
- Customs Data:
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Pentyl cyanoacetate Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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