Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Chloro-2-nitrophenylacetic acid |
EINECS | N/A |
CAS No. | 37777-71-2 | Density | 1.532 g/cm3 |
PSA | 83.12000 | LogP | 2.39850 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H6ClNO4 | Boiling Point | 361.2 °C at 760 mmHg |
Molecular Weight | 215.593 | Flash Point | 172.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Chloro-2-nitrobenzeneaceticacid;4-Chloro-2-nitrophenylacetic acid;NSC 115143; |
Article Data | 6 |
This chemical is called 4-Chloro-2-nitrophenylacetic acid, and it can also be named as Benzeneacetic acid, 4-chloro-2-nitro. With the molecular formula of C8H6ClNO4, its molecular weight is 215.59. The CAS registry number of this chemical is 37777-71-2.
Other characteristics of the 4-Chloro-2-nitrophenylacetic acid can be summarised as followings: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.39; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 72.12 Å2; (12)Index of Refraction: 1.61; (13)Molar Refractivity: 48.8 cm3; (14)Molar Volume: 140.6 cm3; (15)Polarizability: 19.34×10-24cm3; (16)Surface Tension: 63.4 dyne/cm; (17)Density: 1.532 g/cm3; (18)Flash Point: 172.2 °C; (19)Enthalpy of Vaporization: 64.05 kJ/mol; (20)Boiling Point: 361.2 °C at 760 mmHg; (21)Vapour Pressure: 7.56E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(c(cc1)CC(=O)O)[N+]([O-])=O
2.InChI: InChI=1/C8H6ClNO4/c9-6-2-1-5(3-8(11)12)7(4-6)10(13)14/h1-2,4H,3H2,(H,11,12)
3.InChIKey: FLZUSUKBKOZJLG-UHFFFAOYAW