2-Benzofurancarbonitrile, 5-bromo- supplier

Name
2-Benzofurancarbonitrile, 5-bromo-
EINECS
CAS No. 35351-45-2
Density 1.71 g/cm³
Solubility
Melting Point 149-151 °C
Formula C₉H₄BrNO
Boiling Point 321.5 °C at 760 mmHg
Molecular Weight 222.04
Flash Point 148.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Bromo-1-benzofuran-2-carbonitrile;
PSA 36.93000
LogP 3.06698

2-Benzofurancarbonitrile, 5-bromo- Specification

The 2-Benzofurancarbonitrile, 5-bromo- has the CAS registry number 35351-45-2. This chemical's molecular formula is C₉H₄BrNO and molecular weight is 222.04. What's more, its systematic name is 5-bromo-1-benzofuran-2-carbonitrile.

Physical properties of 2-Benzofurancarbonitrile, 5-bromo- are: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 90.69; (6)ACD/BCF (pH 7.4): 90.69; (7)ACD/KOC (pH 5.5): 876.69; (8)ACD/KOC (pH 7.4): 876.69; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.93 Å²; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 49.08 cm³; (15)Molar Volume: 129.6 cm³; (16)Polarizability: 19.45×10^-24cm³; (17)Surface Tension: 62.3 dyne/cm; (18)Density: 1.71 g/cm³; (19)Flash Point: 148.2 °C; (20)Enthalpy of Vaporization: 56.32 kJ/mol; (21)Boiling Point: 321.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000298 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2cc(C#N)oc2cc1
(2)InChI: InChI=1S/C9H4BrNO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H
(3)InChIKey: SBGMVGYYYFGZJF-UHFFFAOYSA-N

Product Name

2-Benzofurancarbonitrile, 5-bromo-

2-Benzofurancarbonitrile, 5-bromo- Specification

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