2-Ethyl-2-phenylbutyronitrile

Modify Date: 2025-08-24 19:15:44

2-Ethyl-2-phenylbutyronitrile Structure
2-Ethyl-2-phenylbutyronitrile structure
Common Name 2-Ethyl-2-phenylbutyronitrile
CAS Number 5336-57-2 Molecular Weight 173.25400
Density 0.949 g/cm3 Boiling Point 270.7ºC at 760 mmHg
Molecular Formula C12H15N Melting Point N/A
MSDS N/A Flash Point 120.2ºC

 Names

Name 2-ethyl-2-phenylbutanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.949 g/cm3
Boiling Point 270.7ºC at 760 mmHg
Molecular Formula C12H15N
Molecular Weight 173.25400
Flash Point 120.2ºC
Exact Mass 173.12000
PSA 23.79000
LogP 3.26798
Index of Refraction 1.501
InChIKey NIWOFSGCBJZYJQ-UHFFFAOYSA-N
SMILES CCC(C#N)(CC)c1ccccc1

 Safety Information

Hazard Codes T+
HS Code 2926909090

 Synthetic Route

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2-Ethyl-2-phenylbutyronitrile Structure

2-Ethyl-2-pheny...

CAS#:5336-57-2

Literature: Advanced Synthesis and Catalysis, , vol. 349, # 11-12 p. 2054 - 2060

~44%

2-Ethyl-2-phenylbutyronitrile Structure

2-Ethyl-2-pheny...

CAS#:5336-57-2

Literature: Chemische Berichte, , vol. 114, # 12 p. 3831 - 3854

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2-Ethyl-2-phenylbutyronitrile Structure

2-Ethyl-2-pheny...

CAS#:5336-57-2

Literature: Chemistry Letters, , p. 1421 - 1424

~13%

2-Ethyl-2-phenylbutyronitrile Structure

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CAS#:5336-57-2

Literature: Organic Preparations and Procedures International, , vol. 23, # 2 p. 153 - 156

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2-Ethyl-2-phenylbutyronitrile Structure

2-Ethyl-2-pheny...

CAS#:5336-57-2

Literature: Journal of Medicinal Chemistry, , vol. 36, # 22 p. 3300 - 3307

~3%

2-Ethyl-2-phenylbutyronitrile Structure

2-Ethyl-2-pheny...

CAS#:5336-57-2

Literature: Bulletin de la Societe Chimique de France, , vol. 2, # 11-12 p. 431 - 434

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2-Ethyl-2-phenylbutyronitrile Structure

2-Ethyl-2-pheny...

CAS#:5336-57-2

Literature: Journal of Pharmacy and Pharmacology, , vol. 10, p. 40,44

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2-Ethyl-2-phenylbutyronitrile Structure

2-Ethyl-2-pheny...

CAS#:5336-57-2

Literature: Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 150, p. 1241 Bulletin de la Societe Chimique de France, , vol. <4> 7, p. 671,733

 Customs

HS Code 2926909090
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%

 Synonyms

2-ethyl-2-phenyl-butyronitrile
Diaethyl-phenyl-essigsaeurenitril
Diaethyl-phenyl-acetonitril
2-Aethyl-2-phenyl-butyronitril
3-Cyan-3-phenylpentan
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