2-Chloro-4-fluoro-5-nitroanisole supplier

Name
1-CHLORO-5-FLUORO-2-METHOXY-4-NITROBENZENE
EINECS
CAS No. 84478-76-2
Article Data7
CAS DataBase
Density 1.453 g/cm³
Solubility
Melting Point 72-75°C
Formula C₇H₅ClFNO₃
Boiling Point 307.9 °C at 760 mmHg
Molecular Weight 205.573
Flash Point 140 °C
Transport Information
Appearance
Safety 26-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Chloro-5-fluoro-2-methoxy-4-nitrobenzene;2-Chloro-4-fluoro-5-nitroanisole;4-Chloro-2-fluoro-5-methoxy-1-nitrobenzene;2-Chloro-4-fluoro-5-nitrophenyl methyl ether;Benzene, 1-chloro-5-fluoro-2-methoxy-4-nitro-;
PSA 55.05000
LogP 2.91910

2-Chloro-4-fluoro-5-nitroanisole Specification

The Benzene,1-chloro-5-fluoro-2-methoxy-4-nitro-, with the CAS registry number 84478-76-2, has the systematic name of 1-chloro-5-fluoro-2-methoxy-4-nitrobenzene. It is a kind of irritant chemical, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₅ClFNO₃.

The characteristics of Benzene,1-chloro-5-fluoro-2-methoxy-4-nitro- are as followings: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 25.09; (6)ACD/BCF (pH 7.4): 25.09; (7)ACD/KOC (pH 5.5): 349.43; (8)ACD/KOC (pH 7.4): 349.43; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 44.36 cm³; (15)Molar Volume: 141.4 cm³; (16)Polarizability: 17.58×10^-24cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.453 g/cm³; (19)Flash Point: 140 °C; (20)Enthalpy of Vaporization: 52.66 kJ/mol; (21)Boiling Point: 307.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00128 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(F)c(cc1OC)[N+]([O-])=O
(2)InChI: InChI=1/C7H5ClFNO3/c1-13-7-3-6(10(11)12)5(9)2-4(7)8/h2-3H,1H3
(3)InChIKey: CRONHBXGPYQWHX-UHFFFAOYAL

Product Name

1-CHLORO-5-FLUORO-2-METHOXY-4-NITROBENZENE

2-Chloro-4-fluoro-5-nitroanisole Specification

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