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ChemicalBook--->CAS DataBase List--->5810-18-4

5810-18-4

5810-18-4 Structure

5810-18-4 Structure
IdentificationBack Directory
[Name]

11-CYANO-1-UNDECANOIC ACID
[CAS]

5810-18-4
[Synonyms]

CUA
11-CYANOUNDECANOIC ACID
Undecanoic acid, 11-cyano-
11-CYANO-1-UNDECANOIC ACID
[EINECS(EC#)]

227-373-4
[Molecular Formula]

C12H21NO2
[MDL Number]

MFCD00002731
[MOL File]

5810-18-4.mol
[Molecular Weight]

211.3
Chemical PropertiesBack Directory
[Melting point ]

57 °C
[Boiling point ]

381.7±15.0 °C(Predicted)
[density ]

0.984±0.06 g/cm3(Predicted)
[pka]

4.78±0.10(Predicted)
[InChI]

InChI=1S/C12H21NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-10H2,(H,14,15)
[InChIKey]

YKHZGLKQBYTRHO-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CCCCCCCCCCC#N
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H332
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Hazard InformationBack Directory
[Synthesis Reference(s)]

Journal of the American Chemical Society, 94, p. 4991, 1972 DOI: 10.1021/ja00769a034
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