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CAS No.: | 713147-42-3 |
---|---|
Name: | 4-(2-FURYL)BENZOYL CHLORIDE |
Molecular Structure: | |
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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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