4-Oxo-1-(o-tolyl)cyclohexane-1-carbonitrile

Name: 4-Oxo-1-(o-tolyl)cyclohexane-1-carbonitrile
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CAS No. 65619-09-2
Cat. No. CS-0454581
Molecule weight213.28
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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4-Oxo-1-(o-tolyl)cyclohexane-1-carbonitrile|CS-0454581

Structure of 65619-09-2

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General Information

CAS No. 65619-09-2
Cat. No. CS-0454581
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₅NO
Molecular Weight 213.28
Synonym(s) 4-Oxo-1-(o-tolyl)cyclohexanecarbonitrile
SMILES CC1=CC=CC=C1C2(CCC(=O)CC2)C#N

Synthesis

Route1
- 65619-08-1
- ~80%
- 65619-09-2
References
- Lednicer, Daniel; VonVoigtlander, Philip F.; Emmert, D. Edward Journal of Medicinal Chemistry, 1980 , vol. 23, # 4 p. 424 - 430
Route2
- 56326-94-4
- ~%
- 65619-09-2
References
- The Upjohn Company Patent: US4065573 A1, 1977 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

TPSA 40.86
LogP 2.8995
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

65619-09-2 sigma65619-09-2 manufacturer65619-09-2 price65619-09-2 structure65619-09-2 SDSbuy 65619-09-265619-09-2 supplier65619-09-2 uses65619-09-2 molecular weightprice of 65619-09-265619-09-2 chemical name formula of 65619-09-2

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4-Oxo-1-(o-tolyl)cyclohexane-1-carbonitrile

CAS No. 65619-09-2

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General Information

Synthesis

References