CAS No.23145-16-6,5-BROMO-1-BENZOFURAN-2-CARBALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23145-16-6
Name:	5-BROMO-1-BENZOFURAN-2-CARBALDEHYDE
Article Data:	7

Formula:	C₉H₅BrO₂
Molecular Weight:	225.041
Synonyms:	5-Bromo-2-benzofurancarboxaldehyde;
Density:	1.677 g/cm³
Melting Point:	129 °C
Boiling Point:	312.447 °C at 760 mmHg
Flash Point:	142.763 °C
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	22-26-36/37/39
PSA:	30.21000
LogP:	3.00780

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Specification

The 5-Bromo-1-benzofuran-2-carbaldehyde, with CAS registry number 23145-16-6, has the systematic name of 5-bromo-1-benzofuran-2-carbaldehyde. Besides this, it is also called 2-Benzofurancarboxaldehyde, 5-bromo-. And the chemical formula of this chemical is C₉H₅BrO₂.

Physical properties of 5-Bromo-1-benzofuran-2-carbaldehyde: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 88.34; (6)ACD/BCF (pH 7.4): 88.34; (7)ACD/KOC (pH 5.5): 860.37; (8)ACD/KOC (pH 7.4): 860.37; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.21 Å²; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 50.83 cm³; (15)Molar Volume: 134.1 cm³; (16)Polarizability: 20.15×10^-24cm³; (17)Surface Tension: 52.1 dyne/cm; (18)Enthalpy of Vaporization: 55.34 kJ/mol; (19)Vapour Pressure: 0.000529 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 5-Bromo-1-benzofuran-2-carbaldehyde irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc1c(oc(c1)C=O)cc2
(2)InChI: InChI=1/C9H5BrO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H
(3)InChIKey: UPEGFMDITWHVHV-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H5BrO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H
(5)Std. InChIKey: UPEGFMDITWHVHV-UHFFFAOYSA-N