CAS No.618-80-4,2,6-Dichloro-4-nitrophenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	618-80-4
Name:	2,6-Dichloro-4-nitrophenol
Article Data:	40
Cas Database

Formula:	C₆H₃Cl₂NO₃
Molecular Weight:	208.001
Synonyms:	4-Nitro-2,6-dichlorophenol;NSC 4123;phenol, 2,6-dichloro-4-nitro-;
EINECS:	210-563-6
Density:	1.682 g/cm³
Melting Point:	123-126 °C (dec.)
Boiling Point:	285.2 °C at 760 mmHg
Flash Point:	126.3 °C
Appearance:	yellow crystalline powder
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-36-36/37/39
Transport Information:	UN 2811 6.1/PG 1
PSA:	66.05000
LogP:	3.13040

Synthetic route

: 87-65-0
2,6-Dichlorophenol

: 618-80-4
2,6-dichloro-4-nitrophenol

Conditions

Conditions	Yield
With Zn(NO3)2*2N2O4 In dichloromethane at 20℃; for 0.0833333h;	98%
With tetra(n-butyl)ammonium dichromate(VI); sodium nitrite In dichloromethane for 23h; Reflux; chemoselective reaction;	98%
With Tetraethylene glycol; silica gel; dinitrogen tetraoxide In dichloromethane at 20℃; for 0.0833333h;	97%

: 100-02-7
4-nitro-phenol

: 618-80-4
2,6-dichloro-4-nitrophenol

Conditions

Conditions	Yield
With hydrogenchloride; chlorine In water at 10℃; for 3.5h; Solvent; Temperature;	93%
With sodium periodate; sulfuric acid; sodium dodecyl-sulfate; acetic acid; sodium chloride In water at 40℃; for 2h;	93%
With trichloroisocyanuric acid; brilliant green carbocation In acetonitrile at 20℃; for 0.25h; Irradiation; regioselective reaction;	58%

: 1620783-12-1
2-(2,6-dichloro-4-nitrophenoxy)pyridine

: 618-80-4
2,6-dichloro-4-nitrophenol

Conditions

Conditions	Yield
Stage #1: 2-(2,6-dichloro-4-nitrophenoxy)pyridine With methyl trifluoromethanesulfonate In toluene at 100℃; for 2h; Inert atmosphere; Schlenk technique; Stage #2: With sodium In methanol at 80℃; for 0.5h; Inert atmosphere; Schlenk technique;	77%

: 100-02-7
4-nitro-phenol

: 36942-09-3
N,N-dichlorourea

: 618-80-4
2,6-dichloro-4-nitrophenol

Conditions

Conditions	Yield
With hydrogenchloride

: 3217-15-0
4-bromo-2,6-dichloro-phenol

: 618-80-4
2,6-dichloro-4-nitrophenol

Conditions

Conditions	Yield
With acetic acid; sodium nitrite

: 616-59-1
2-hydroxyl-5-nitrobenzenesulfonic acid

: 618-80-4
2,6-dichloro-4-nitrophenol

Conditions

Conditions	Yield
With water; chlorine

: 25319-98-6
3,5-dichloro-4-hydroxybenzene sulfonic acid

: 618-80-4
2,6-dichloro-4-nitrophenol

Conditions

Conditions	Yield
beim Nitrieren;

: 381-73-7
Difluoroacetic acid

: 46063-82-5
2,6-dichloro-4-nitro-phenolate

A: 618-80-4
2,6-dichloro-4-nitrophenol

B: 83193-04-8
2,2-difluoroacetate

Conditions

Conditions	Yield
In dimethyl sulfoxide at 20℃; Equilibrium constant; Rate constant;

...Expand

: 46063-82-5
2,6-dichloro-4-nitro-phenolate

: 18716-27-3
tribenzylamine; protonated form

A: 618-80-4
2,6-dichloro-4-nitrophenol

B: 620-40-6
tribenzylamine

Conditions

Conditions	Yield
In dimethyl sulfoxide at 20℃; Equilibrium constant; Rate constant;

...Expand

: 2,6-Dichloro-4-nitrophenyl picolinate

A: 98-98-6
2-Picolinic acid

B: 618-80-4
2,6-dichloro-4-nitrophenol

Conditions

Conditions	Yield
With water; copper(II) ion at 25℃; Rate constant; MES buffer - pH 6.3;

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Specification

The systematic name of this chemical is 2,6-Dichloro-4-nitrophenol. With the CAS registry number 618-80-4 and EINECS registry number 210-563-6, it is also named as 4-Nitro-2,6-dichlorophenol. And the molecular formula of this chemical is C₆H₃Cl₂NO₃. It is a kind of yellow crystalline powder, and belongs to the product categories: Organic Building Blocks; Oxygen Compounds; Phenols.

The physical properties of 2,6-Dichloro-4-nitrophenol are as following: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.2; (4)ACD/LogD (pH 7.4): -0.13; (5)ACD/BCF (pH 5.5): 1.88; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.14; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 44.47 cm³; (15)Molar Volume: 123.6 cm³; (16)Polarizability: 17.62×10^-24cm³; (17)Surface Tension: 63.9 dyne/cm; (18)Density: 1.682 g/cm³; (19)Flash Point: 126.3 °C; (20)Enthalpy of Vaporization: 54.53 kJ/mol; (21)Boiling Point: 285.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00165 mmHg at 25°C.

Uses of 2,6-Dichloro-4-nitrophenol: It can react with pyridine-2-carboxylic acid to produce pyridine-2-carboxylic acid 2,6-dichloro-4-nitro-phenyl ester. This reaction will need reagents 1,3-dicyclohexylcarbodiimide and 4-(dimethylamino)pyridine, and the solvent CH₂Cl₂. The reaction time is 48 hours with ambient temperature, and the yield is about 63%.

2,6-Dichloro-4-nitrophenol can react with pyridine-2-carboxylic acid to produce pyridine-2-carboxylic acid 2,6-dichloro-4-nitro-phenyl ester

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1O)[N+]([O-])=O
(2)InChI: InChI=1/C6H3Cl2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
(3)InChIKey: PXSGFTWBZNPNIC-UHFFFAOYAC