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93777-26-5

Basic Information
CAS No.: 93777-26-5
Name: Benzaldehyde,5-bromo-2-fluoro-
Molecular Structure:
Molecular Structure of 93777-26-5 (Benzaldehyde,5-bromo-2-fluoro-)
Formula: C7H4BrFO
Molecular Weight: 203.01
Synonyms: 2-Fluoro-5-bromobenzaldehyde;3-Bromo-6-fluorobenzaldehyde;2-Fluoro-5-Bromo benzaldehyde;5-Bromo-2-fluoro-benzaldehyde;
EINECS: 298-056-6
Density: 1.671 g/cm3
Melting Point: 58-62 °C
Boiling Point: 232.113 °C at 760 mmHg
Flash Point: 94.179 °C
Solubility: insoluble in water
Appearance: clear yellowish liquid after melting
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
Transport Information:
PSA: 17.07000
LogP: 2.40070
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Specification

The Benzaldehyde,5-bromo-2-fluoro-, with its CAS registry number 93777-26-5, has the IUPAC name of 5-bromo-2-fluorobenzaldehyde. For being a kind of clear yellowish liquid, it is sensitive to air and insouble in water. Its product categories are including Fluorin-contained benzaldehyde series; Carbonyl Compounds; Halides; Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; API intermediates; Adehydes, Acetals & Ketones; Bromine Compounds; Fluorine Compounds; Aldehydes; C7; Carbonyl Compounds; Benzaldehyde series.

The physical properties of this chemical are as below: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.476; (4)ACD/LogD (pH 7.4): 2.476; (5)ACD/BCF (pH 5.5): 44.873; (6)ACD/BCF (pH 7.4): 44.873; (7)ACD/KOC (pH 5.5): 529.788; (8)ACD/KOC (pH 7.4): 529.788; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 40.69 cm3; (15)Molar Volume: 121.494 cm3; (16)Polarizability: 16.131×10-24 cm3; (17)Surface Tension: 42.361 dyne/cm; (18)Density: 1.671 g/cm3; (19)Flash Point: 94.179 °C; (20)Enthalpy of Vaporization: 46.879 kJ/mol; (21)Boiling Point: 232.113 °C at 760 mmHg; (22)Vapour Pressure: 0.06 mmHg at 25°C; (23)Exact Mass: 201.942956; (24)MonoIsotopic Mass: 201.942956; (25)Topological Polar Surface Area: 17.1; (26)Heavy Atom Count: 10; (27)Complexity: 129.

Use of this chemical: Benzaldehyde,5-bromo-2-fluoro- could react with hydrogen cyanide; copper(1+) salt to produce 5-cyano-2-fluorobenzaldehyde. This reaction could happen in the presence of the solvent of Dimethylformamide in the condition of heating.

When you are dealing with this chemical, you should be very careful. For being irritating to eyes, respiratory system and skin, this chemical may cause inflammation to the skin or other mucous membranes. And you should wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Br)C=O)F
(2)InChI: InChI=1S/C7H4BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
(3)InChIKey: MMFGGDVQLQQQRX-UHFFFAOYSA-N