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2-(4-Bromomethyl)phenylpropionic acid

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2-(4-Bromomethyl)phenylpropionic acid

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2-(4-Bromomethyl)phenylpropionic acid Specification

The 2-[4-(Bromomethyl)phenyl] propanoic aci×d with CAS registry number of 111128-12-2 is also known as Benzeneacetic acid,4-(bromomethyl)-a-methyl-. The IUPAC name and product name are the same. It belongs to product categories of Aromatic Propionic Acids; Organic Acids; (Intermediate of loxoprofen); C10; Carbonyl Compounds; Carboxylic Acids. In addition, the formula is C10H11BrO2 and the molecular weight is 243.10. This chemical is a beige-cream crystalline powder and should be sealed in cool, dry place away from strong oxidants.

Physical properties about 2-[4-(Bromomethyl)phenyl] propanoic acid are: (1)ACD/LogP: 2.55; (2)ACD/LogD (pH 5.5): 1.32; (3)ACD/LogD (pH 7.4): -0.47; (4)ACD/BCF (pH 5.5): 2.97; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 33.8; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3Å2; (12)Index of Refraction: 1.582; (13)Molar Refractivity: 54.65 cm3; (14)Molar Volume: 163.6 cm3; (15)Polarizability: 21.66×10-24cm3; (16)Surface Tension: 49 dyne/cm; (17)Density: 1.485 g/cm3; (18)Flash Point: 162 °C; (19)Enthalpy of Vaporization: 62.08 kJ/mol; (20)Boiling Point: 344.2 °C at 760 mmHg; (21)Vapour Pressure: 2.54E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. What's more, it causes burns. During using it, wear suitable protective clothing, gloves and eye/face protection. After using it, take off immediately all contaminated clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(C1=CC=C(C=C1)CBr)C(=O)O
2. InChI: InChI=1S/C10H11BrO2/c1-7(10(12)13)9-4-2-8(6-11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)
3. InChIKey: QQXBRVQJMKBAOZ-UHFFFAOYSA-N

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