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6740-85-8

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Basic Information
CAS No.: 6740-85-8
Name: Methanone,(2-chlorophenyl)cyclopentyl-
Molecular Structure:
Molecular Structure of 6740-85-8 (Methanone,(2-chlorophenyl)cyclopentyl-)
Formula: C12H13ClO
Molecular Weight: 208.69
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;
EINECS: 229-802-0
Density: 1.174 g/cm3
Melting Point: 96 °C
Boiling Point: 285.3 °C at 760 mmHg
Flash Point: 157.1 °C
Solubility:
Appearance: liquid
Hazard Symbols:
Risk Codes:
Safety: 24/25
Transport Information:
PSA: 17.07000
LogP: 3.71290
Downstream Products
35211-10-0
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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