2-(4-NITROPHENYL)PROPIONIC ACID

The Benzeneacetic acid, α-methyl-4-nitro-, with the CAS registry number 19910-33-9, is also known as α-Methyl-4-nitrophenylacetic acid. It belongs to the product categories of C9; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 243-423-8. This chemical's molecular formula is C₉H₉NO₄ and molecular weight is 195.17. What's more, its systematic name is called 2-(4-Nitrophenyl)propanoic acid.

Physical properties about Benzeneacetic acid, α-methyl-4-nitro- are: (1) ACD/LogP: 1.58; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.02; (4) ACD/LogD (pH 7.4): -1.72; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 4.33; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 5; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 72.12 Å²; (13) Index of Refraction: 1.579; (14) Molar Refractivity: 48.54 cm³; (15) Molar Volume: 145.9 cm³; (16) Surface Tension: 56.1 dyne/cm; (17) Density: 1.337 g/cm³; (18) Flash Point: 160.5 °C; (19) Enthalpy of Vaporization: 64.13 kJ/mol; (20) Boiling Point: 361.9 °C at 760 mmHg; (21) Vapour Pressure: 7.16E-06 mmHg at 25 °C; (22) Melting Point: 88-89 °C.

Uses of Benzeneacetic acid, α-methyl-4-nitro-: it is used to produce other chemicals. For example, it is used to produce 2-(4-Amino-phenyl)-propionic acid. The reaction occurs with reagent Tin, Hydrochloric acid.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(cc1)C(C(=O)O)C
(2) InChI: InChI=1/C9H9NO4/c1-6(9(11)12)7-2-4-8(5-3-7)10(13)14/h2-6H,1H3,(H,11,12)
(3) InChIKey: RBSRRICSXWXMRC-UHFFFAOYAY