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Name |
Benzeneacetic acid, a-amino-3,4-dichloro- |
EINECS | N/A |
CAS No. | 128349-50-8 | Density | 1.515 g/cm3 |
PSA | 63.32000 | LogP | 2.77810 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H7Cl2NO2 | Boiling Point | 355.8 °C at 760 mmHg |
Molecular Weight | 220.055 | Flash Point | 169 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:; |
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Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
amino(3,4-dichlorophenyl)acetic acid;amino(3,4-dichlorophenyl)acetic acid; |
Article Data | 2 |
The Benzeneacetic acid, a-amino-3,4-dichloro-, with the CAS registry number 128349-50-8, has the systematic name of amino(3,4-dichlorophenyl)acetic acid. And the molecular formula of this chemical is C8H7Cl2NO2. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of Benzeneacetic acid, a-amino-3,4-dichloro- are as following: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 63.32 Å2; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 50.69 cm3; (13)Molar Volume: 145.2 cm3; (14)Polarizability: 20.09×10-24cm3; (15)Surface Tension: 60.5 dyne/cm; (16)Density: 1.515 g/cm3; (17)Flash Point: 169 °C; (18)Enthalpy of Vaporization: 63.42 kJ/mol; (19)Boiling Point: 355.8 °C at 760 mmHg; (20)Vapour Pressure: 1.12E-05 mmHg at 25°C.
Preparation of Benzeneacetic acid, a-amino-3,4-dichloro-: This chemical can be prepared by (3,4-dichloro-phenyl)-hydroxyimino-acetic acid. The reaction will need reagents H2 and conc aq. HCl, catalyst 5percent Pd/C, and the solvent ethanol. The reaction time is 6 hours with ambient temperature, and the yield is about 57%.
Uses of Benzeneacetic acid, a-amino-3,4-dichloro-: It can react with di(tert-butyl) carbonate to produce 3,4-dichloro-a-{[(1,1-dimethylethoxy)carbonyl]amino}-benzeneacetic acid. This reaction will need reagent 2N aq. NaOH, and the solvent 2-methyl-propan-2-ol. The reaction time is 24 hours with ambient temperature, and the yield is about 48%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1Cl)C(N)C(O)=O
(2)InChI: InChI=1/C8H7Cl2NO2/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
(3)InChIKey: NHRIRGQUPAYPDT-UHFFFAOYAZ