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3-Benzofuranacetylchloride

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Name

3-Benzofuranacetylchloride

EINECS N/A
CAS No. 857283-98-8 Density 1.317 g/cm3
PSA 30.21000 LogP 2.74070
Solubility N/A Melting Point N/A
Formula C10H7ClO2 Boiling Point 289.6 °C at 760 mmHg
Molecular Weight 194.617 Flash Point 128.9 °C
Transport Information N/A Appearance N/A
Safety 8-23-29-30-36/37/39-45 Risk Codes 14-29-34
Molecular Structure Molecular Structure of 857283-98-8 (BENZO[B]FURAN-3-YLACETYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

Benzo[b]furan-3-ylacetyl chloride;2-Benzo[b]furan-3-ylacetyl chloride;

Article Data 4

3-Benzofuranacetylchloride Specification

The systematic name of 3-Benzofuranacetylchloride is 1-benzofuran-3-ylacetyl chloride. With the CAS registry number 857283-98-8, it is also named as Benzo[b]furan-3-ylacetyl chloride. The product's category is Furan & Benzofuran. In addition, its molecular formula is C10H7ClO2 and its molecular weight is 194.61.

The other characteristics of 3-Benzofuranacetylchloride can be summarized as: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 64.71; (6)ACD/BCF (pH 7.4): 64.71; (7)ACD/KOC (pH 5.5): 688.5; (8)ACD/KOC (pH 7.4): 688.5; (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: 1.604; (14)Molar Refractivity: 50.82 cm3; (15)Molar Volume: 147.6 cm3; (16)Polarizability: 20.14×10-24cm3; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.317 g/cm3; (19)Flash Point: 128.9 °C; (20)Enthalpy of Vaporization: 52.89 kJ/mol; (21)Boiling Point: 289.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00218 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it reacts violently with water. If contact with water, it liberates toxic gas. Please keep container dry. And never add water to this product. It also may cause burns. Please do not breathe vapour. Moreover, please do not empty into drains. You should wear suitable protective clothing, gloves and eye/face protection. Besides, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: ClC(=O)Cc1c2ccccc2oc1
(2)InChI: InChI=1/C10H7ClO2/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2
(3)InChIKey: HDUZJCZRUHHTNW-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H7ClO2/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2
(5)Std. InChIKey: HDUZJCZRUHHTNW-UHFFFAOYSA-N

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