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56540-70-6

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Basic Information
CAS No.: 56540-70-6
Name: 1-BENZOFURAN-5-CARBONYL CHLORIDE
Article Data: 8
Molecular Structure:
Molecular Structure of 56540-70-6 (1-BENZOFURAN-5-CARBONYL CHLORIDE)
Formula: C9H5ClO2
Molecular Weight: 180.59
Synonyms: 1-BENZOFURAN-5-CARBONYL CHLORIDE;5-Benzofurancarbonyl chloride (9CI)
Density: 1.36g/cm3
Melting Point: 67-68°C
Boiling Point: 260.8 °C at 760 mmHg
Flash Point: 111.6 °C
Hazard Symbols: CorrosiveC
Risk Codes: 34
Safety: 26-36/37/39-45
PSA: 30.21000
LogP: 2.81180
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Specification

The 5-Benzofurancarbonylchloride, with CAS registry number 56540-70-6, belongs to the following product categories: (1)Acid halide; (2)Furan & Benzofuran. It has the systematic name of 1-benzofuran-5-carbonyl chloride. And the chemical formula of this chemical is C9H5ClO2.

Physical properties of 5-Benzofurancarbonylchloride: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 62.02; (6)ACD/BCF (pH 7.4): 62.02; (7)ACD/KOC (pH 5.5): 667.87; (8)ACD/KOC (pH 7.4): 667.87; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.21 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 46.63 cm3; (15)Molar Volume: 132.7 cm3; (16)Polarizability: 18.48×10-24cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 111.6 °C; (20)Enthalpy of Vaporization: 49.86 kJ/mol; (21)Boiling Point: 260.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0119 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 5-Benzofurancarbonylchloride may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c2cc1c(occ1)cc2
(2)InChI: InChI=1/C9H5ClO2/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
(3)InChIKey: HVLITELPDNDMFO-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H5ClO2/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
(5)Std. InChIKey: HVLITELPDNDMFO-UHFFFAOYSA-N