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CAS No.: | 109347-40-2 |
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Name: | (3-Bromophenyl)acetaldehyde |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C8H7BrO |
Molecular Weight: | 199.047 |
Synonyms: | 3-Bromobenzeneacetaldehyde;2-(3-Bromophenyl)acetaldehyde; |
Density: | 1.466 g/cm3 |
Boiling Point: | 267.5 °C at 760 mmHg |
Flash Point: | 99.7 °C |
PSA: | 17.07000 |
LogP: | 2.19050 |
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The (3-Bromophenyl)acetaldehyde, with the CAS registry number 109347-40-2, is also known as Benzeneacetaldehyde, 3-bromo-. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted); Aldehydes; Phenyls & Phenyl-Het. This chemical's molecular formula is C8H7BrO and molecular weight is 199.0446. Its systematic name is called (3-bromophenyl)acetaldehyde.
Physical properties of (3-Bromophenyl)acetaldehyde: (1)ACD/LogP: 2.55; (2)ACD/LogD (pH 5.5): 2.55; (3)ACD/LogD (pH 7.4): 2.55; (4)ACD/BCF (pH 5.5): 51.12; (5)ACD/BCF (pH 7.4): 51.12; (6)ACD/KOC (pH 5.5): 581.57; (7)ACD/KOC (pH 7.4): 581.57; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.556; (11)Molar Refractivity: 43.67 cm3; (12)Molar Volume: 135.7 cm3; (13)Surface Tension: 40.8 dyne/cm; (14)Density: 1.466 g/cm3; (15)Flash Point: 99.7 °C; (16)Enthalpy of Vaporization: 50.55 kJ/mol; (17)Boiling Point: 267.5 °C at 760 mmHg; (18)Vapour Pressure: 0.00812 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(CC=O)ccc1
(2)InChI: InChI=1/C8H7BrO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,5-6H,4H2
(3)InChIKey: GQPCWVVXGHFKQY-UHFFFAOYAF