Ethanone,1-(5-benzofuranyl)-2-bromo- supplier

Name
1-(1-BENZOFURAN-5-YL)-2-BROMO-1-ETHANONE
EINECS
CAS No. 844891-02-7
Density 1.582 g/cm³
Solubility
Melting Point
Formula C₁₀H₇BrO₂
Boiling Point 306.8 °C at 760 mmHg
Molecular Weight 239.07
Flash Point 139.3 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(Benzofuran-5-yl)-2-bromoethanone;
PSA 30.21000
LogP 3.01040

Ethanone,1-(5-benzofuranyl)-2-bromo- Specification

The Ethanone,1-(5-benzofuranyl)-2-bromo-, with the CAS registry number 844891-02-7, is also known as 5-(2-Bromoacetyl)benzo[b]furan. This chemical's molecular formula is C₁₀H₇BrO₂ and molecular weight is 239.07. What's more, its systematic name is called 1-(1-Benzofuran-5-yl)-2-bromoethanone. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Ethanone,1-(5-benzofuranyl)-2-bromo- are: (1) ACD/LogP: 2.64; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.64; (4) ACD/LogD (pH 7.4): 2.64; (5) ACD/BCF (pH 5.5): 59.96; (6) ACD/BCF (pH 7.4): 59.96; (7) ACD/KOC (pH 5.5): 651.92; (8) ACD/KOC (pH 7.4): 651.92; (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: 1.636; (14) Molar Refractivity: 54.15 cm³; (15) Molar Volume: 151 cm³; (16) Surface Tension: 50.3 dyne/cm; (17) Density: 1.582 g/cm³; (18) Flash Point: 139.3 °C; (19) Enthalpy of Vaporization: 54.73 kJ/mol; (20) Boiling Point: 306.8 °C at 760 mmHg; (21) Vapour Pressure: 0.000755 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCC(=O)c2cc1c(occ1)cc2
(2) InChI: InChI=1/C10H7BrO2/c11-6-9(12)7-1-2-10-8(5-7)3-4-13-10/h1-5H,6H2
(3) InChIKey: KRXJQVYCIGDILC-UHFFFAOYAB

Product Name

1-(1-BENZOFURAN-5-YL)-2-BROMO-1-ETHANONE

Ethanone,1-(5-benzofuranyl)-2-bromo- Specification

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