Benzofuran, 3-bromo- supplier

Name
3-BROMO-1-BENZOFURAN
EINECS
CAS No. 59214-70-9
Article Data23
CAS DataBase
Density 1.608 g/cm³
Solubility
Melting Point 35 °C
Formula C₈H₅BrO
Boiling Point 233.8 °C at 760 mmHg
Molecular Weight 197.031
Flash Point 95.2 °C
Transport Information
Appearance
Safety 26-36/37/39-22
Risk Codes 36-36/37/38-22
Molecular Structure
Hazard Symbols
Synonyms 3-Bromobenzofuran;
PSA 13.14000
LogP 3.19530

Benzofuran, 3-bromo- Specification

This chemical is called Benzofuran, 3-bromo-, and its systematic name is 3-bromo-1-benzofuran. With the molecular formula of C₈H₅BrO, its molecular weight is 197.03. The CAS registry number of this chemical is 59214-70-9.

Other characteristics of the Benzofuran, 3-bromo- can be summarised as followings: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 3.44; (5)ACD/BCF (pH 5.5): 243.05; (6)ACD/BCF (pH 7.4): 243.05; (7)ACD/KOC (pH 5.5): 1775.39; (8)ACD/KOC (pH 7.4): 1775.39; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 13.14 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 44.08 cm³; (15)Molar Volume: 122.5 cm³; (16)Polarizability: 17.47×10^-24cm³; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.608 g/cm³; (19)Flash Point: 95.2 °C; (20)Enthalpy of Vaporization: 45.14 kJ/mol; (21)Boiling Point: 233.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0835 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Brc1c2ccccc2oc1
2.InChI: InChI=1/C8H5BrO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H
3.InChIKey: ICJNAOJPUTYWNV-UHFFFAOYAO

Product Name

3-BROMO-1-BENZOFURAN

Benzofuran, 3-bromo- Specification

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