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| CAS No.: | 857283-98-8 |
|---|---|
| Name: | BENZO[B]FURAN-3-YLACETYL CHLORIDE |
| Article Data: | 4 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H7ClO2 |
| Molecular Weight: | 194.617 |
| Synonyms: | Benzo[b]furan-3-ylacetyl chloride;2-Benzo[b]furan-3-ylacetyl chloride; |
| Density: | 1.317 g/cm3 |
| Boiling Point: | 289.6 °C at 760 mmHg |
| Flash Point: | 128.9 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 14-29-34 |
| Safety: | 8-23-29-30-36/37/39-45 |
| PSA: | 30.21000 |
| LogP: | 2.74070 |
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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