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713147-42-3

Basic Information
CAS No.: 713147-42-3
Name: 4-(2-FURYL)BENZOYL CHLORIDE
Molecular Structure:
Molecular Structure of 713147-42-3 (4-(2-FURYL)BENZOYL CHLORIDE)
Formula: C11H7ClO2
Molecular Weight: 206.63
Synonyms: 4-furan-2-ylbenzoyl chloride;4-(2-furyl)benzoyl chloride;
Density: 1.26 g/cm3
Melting Point: 101-103°C
Boiling Point: 306.4 °C at 760 mmHg
Flash Point: 139.1 °C
Risk Codes: 14-29-35
Safety: 16-22-26-36/37/39-45
PSA: 30.21000
LogP: 3.32560
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    4-(2-FURYL)BENZOYL CHLORIDEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The Benzoyl chloride,4-(2-furanyl)-, with the CAS registry number 713147-42-3, has the systematic name of 4-furan-2-ylbenzoyl chloride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C11H7ClO2.

The characteristics of Benzoyl chloride,4-(2-furanyl)- are as followings: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.59; (5)ACD/BCF (pH 5.5): 314.08; (6)ACD/BCF (pH 7.4): 314.08; (7)ACD/KOC (pH 5.5): 2133; (8)ACD/KOC (pH 7.4): 2133; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 30.21 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 53.38 cm3; (15)Molar Volume: 163.9 cm3; (16)Polarizability: 21.16×10-24cm3; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 139.1 °C; (20)Enthalpy of Vaporization: 54.69 kJ/mol; (21)Boiling Point: 306.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000774 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(=O)c2ccc(c1occc1)cc2
(2)InChI: InChI=1/C11H7ClO2/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H
(3)InChIKey: SOVAUONZJRXJKK-UHFFFAOYAM