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Benzeneacetic acid, α-methyl-4-nitro-

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Name

Benzeneacetic acid, α-methyl-4-nitro-

EINECS 243-423-8
CAS No. 19910-33-9 Density 1.337 g/cm3
PSA 83.12000 LogP 2.30610
Solubility N/A Melting Point 88-89 °C
Formula C9H9NO4 Boiling Point 361.9 °C at 760 mmHg
Molecular Weight 195.175 Flash Point 160.5 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 19910-33-9 (2-(4-NITROPHENYL)PROPIONIC ACID) Hazard Symbols IrritantXi
Synonyms

Hydratropicacid, p-nitro- (6CI,7CI,8CI);(α)-2-(4-Nitrophenyl)propionic acid;2-(4-Nitrophenyl)propanoic acid;2-(4-Nitrophenyl)propionic acid;2-(p-Nitrophenyl)propionic acid;α-Methyl-4-nitrobenzeneacetic acid;

Article Data 20

Benzeneacetic acid, α-methyl-4-nitro- Specification

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

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