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Basic Information
CAS No.: 88-87-9
Name: 4-CHLORO-2,6-DINITROPHENOL
Molecular Structure:
Molecular Structure of 88-87-9 (4-CHLORO-2,6-DINITROPHENOL)
Formula: C6H3ClN2O5
Molecular Weight: 218.553
Synonyms: 2,6-Dinitro-4-chlorophenol;4-Chloro-2,6-dinitrophenol;NSC 6212;
EINECS: 201-863-8
Density: 1.769 g/cm3
Melting Point: 81°C
Boiling Point: 252.3 °C at 760 mmHg
Flash Point: 106.4 °C
PSA: 111.87000
LogP: 2.90840
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Specification

The CAS register number of Phenol,4-chloro-2,6-dinitro- is 88-87-9. It also can be called as 2,6-Dinitro-4-chlorophenol and the systematic name about this chemical is 4-chloro-2,6-dinitrophenol. The molecular formula about this chemical is C6H3ClN2O5 and the molecular weight is 218.55.

Physical properties about Phenol,4-chloro-2,6-dinitro- are: (1)ACD/LogP: 3.01; (2)ACD/LogD (pH 5.5): 0.58; (3)ACD/LogD (pH 7.4): -0.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.87; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 100.87 Å2; (12)Index of Refraction: 1.669; (13)Molar Refractivity: 46.12 cm3; (14)Molar Volume: 123.4 cm3; (15)Polarizability: 18.28x10-24cm3; (16)Surface Tension: 79.8 dyne/cm; (17)Density: 1.769 g/cm3; (18)Flash Point: 106.4 °C; (19)Enthalpy of Vaporization: 50.94 kJ/mol; (20)Boiling Point: 252.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0123 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-chloro-phenol. This reaction will need reagent of nitric acid.

Phenol,4-chloro-2,6-dinitro- can be prepared by 4-chloro-phenol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(O)c(cc(Cl)c1)[N+]([O-])=O
(2)InChI: InChI=1/C6H3ClN2O5/c7-3-1-4(8(11)12)6(10)5(2-3)9(13)14/h1-2,10H
(3)InChIKey: KESYALTWUAFAAC-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H3ClN2O5/c7-3-1-4(8(11)12)6(10)5(2-3)9(13)14/h1-2,10H
(5)Std. InChIKey: KESYALTWUAFAAC-UHFFFAOYSA-N