2-Chlorophenyl cyclopentyl ketone supplier

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Name
2-Chlorophenyl cyclopentyl ketone
EINECS 229-802-0
CAS No. 6740-85-8
Article Data14
CAS DataBase
Density 1.174 g/cm³
Solubility
Melting Point 96 °C
Formula C₁₂H₁₃ClO
Boiling Point 285.3 °C at 760 mmHg
Molecular Weight 208.688
Flash Point 157.1 °C
Transport Information
Appearance liquid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ketone,o-chlorophenyl cyclopentyl (7CI,8CI);(2-Chlorobenzoyl)cyclopentane;2-Chlorophenyl cyclopentyl ketone;Cyclopentyl 2-chlorophenyl ketone;Cyclopentyl o-chlorophenyl ketone;o-Chlorophenyl cyclopentyl ketone;
PSA 17.07000
LogP 3.71290

2-Chlorophenyl cyclopentyl ketone Specification

The IUPAC name of Methanone,(2-chlorophenyl)cyclopentyl- is (2-chlorophenyl)-cyclopentylmethanone. With the CAS registry number 6740-85-8, it is also named as o-Chlorophenyl cyclopentyl ketone. The product's categories are Ketones; Organic Materials; Pharmaceutical Intermediates; Intermediates. Besides, it is a liquid, which is used as an intermediate of ketamine. When you are using this chemical, please avoid contact with skin and eyes. In addition, its molecular formula is C₁₂H₁₃ClO and molecular weight is 208.69.

The other characteristics of this product can be summarized as: (1)EINECS: 229-802-0; (2)ACD/LogP: 3.59; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.59; (5)ACD/LogD (pH 7.4): 3.59; (6)ACD/BCF (pH 5.5): 312.49; (7)ACD/BCF (pH 7.4): 312.49; (8)ACD/KOC (pH 5.5): 2125.23; (9)ACD/KOC (pH 7.4): 2125.23; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 57.59 cm³; (15)Molar Volume: 177.6 cm³; (16)Surface Tension: 43.2 dyne/cm; (17)Density: 1.174 g/cm³; (18)Flash Point: 157.1 °C; (19)Melting Point: 96 °C; (20)Enthalpy of Vaporization: 52.43 kJ/mol; (21)Boiling Point: 285.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00283 mmHg at 25 °C.

Preparation of Methanone,(2-chlorophenyl)cyclopentyl-: this chemical can be prepared by 1-o-chlorobenzoylcyclopentene.

This reaction needs H₂. The yield is 60 %.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1CCC(C1)C(=O)C2=CC=CC=C2Cl
(2)InChI: InChI=1S/C12H13ClO/c13-11-8-4-3-7-10(11)12(14)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
(3)InChIKey: QIJMMRNZBJHXRI-UHFFFAOYSA-N

Product Name

2-Chlorophenyl cyclopentyl ketone

2-Chlorophenyl cyclopentyl ketone Specification

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