CAS No.89-61-2,2,5-Dichloronitrobenzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	89-61-2
Name:	2,5-Dichloronitrobenzene
Article Data:	51

Formula:	C₆H₃Cl₂NO₂
Molecular Weight:	192.001
Synonyms:	2,5-Dichloronitrobenzol;2,5-Dichloro-1-nitrobenzene;Benzene, 2,5-dichloronitro-;Benzene, 1,4-dichloro-2-nitro-;2,5-Dichlornitrobenzen [Czech];2, 5-Dichlornitrobenzen;1-Nitro-2,5-dichlorobenzene;Nitro-p-dichlorobenzene;1,4-dichloro-2-nitro-benzene;1,4-Dichloro-2-nitrobenzene;
EINECS:	201-923-3
Density:	1.533 g/cm³
Melting Point:	52-54 °C(lit.)
Boiling Point:	267 °C at 760 mmHg
Flash Point:	109.4 °C
Solubility:	Soluble in water, ethanol, ether, benzene, carbon disulfide. Slightly soluble in carbon tetrachloride.
Appearance:	yellow flakes
Hazard Symbols:	Xn; N
Risk Codes:	22-36-51/53
Safety:	26-60
Transport Information:	UN 3077 9/PG 3
PSA:	45.82000
LogP:	3.42480

Synthetic route

: 95-82-9
2,5 dichloroaniline

: 89-61-2
2,5-dichloronitrobenzene

Conditions

Conditions	Yield
With fluoro alcohol In water; ethyl acetate; acetonitrile at -20℃; for 0.0833333h;	97%

: 106-46-7
para-dichlorobenzene

: 89-61-2
2,5-dichloronitrobenzene

Conditions

Conditions	Yield
With ortho-difluorobenzene; sulfuric acid; nitric acid at 35℃; Temperature;	96.7%
With sulfuric acid; nitric acid at 0 - 23℃; for 0.283333h; Inert atmosphere;	93%
With nitric acid

: 6280-88-2
4-chloro-2-nitro-benzoic acid

: 89-61-2
2,5-dichloronitrobenzene

Conditions

Conditions	Yield
With copper(l) iodide; oxygen; copper(l) chloride In dimethyl sulfoxide at 160℃; under 760.051 Torr; for 30h; Schlenk technique; Sealed tube;	78%
With 2.9-dimethyl-1,10-phenanthroline; oxygen; copper (I) acetate; silver sulfate; sodium chloride In dimethyl sulfoxide at 160℃; for 24h; Schlenk technique;	54%
With 2.9-dimethyl-1,10-phenanthroline; oxygen; copper diacetate; silver sulfate; sodium chloride In dimethyl sulfoxide at 160℃; under 760.051 Torr; for 20h; Schlenk technique;	54%

: 27165-22-6
2-nitro-4-chlorobenzenediazonium cation

A: 56978-50-8
4,4'-dichloro-2,2'-dinitrobiphenyl

B: 89-61-2
2,5-dichloronitrobenzene

Conditions

Conditions	Yield
With hydrogenchloride; copper dichloride

: 10203-04-0
3,6-dichloro-2-nitro-benzaldehyde

: 89-61-2
2,5-dichloronitrobenzene

Conditions

Conditions	Yield
With potassium hydroxide at 100℃;

: 610-41-3
3,4-dinitroaniline

: 89-61-2
2,5-dichloronitrobenzene

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid at 40℃; anschliessendes Behandeln mit Kupfer(I)-chlorid und konz. wss. Salzsaeure bei 70grad;

: 98-95-3
nitrobenzene

: 89-61-2
2,5-dichloronitrobenzene

Conditions

Conditions	Yield
With antimonypentachloride beim Chlorieren;

: 88-73-3
2-Chloronitrobenzene

: 89-61-2
2,5-dichloronitrobenzene

Conditions

Conditions	Yield
With antimonypentachloride bei der Chlorierung;

: 121-73-3
3-Chloronitrobenzene

A: 99-54-7
3,4-dichloronitrobenzene

B: 3209-22-1
1,2-Dichloro-3-nitrobenzene

C: 89-61-2
2,5-dichloronitrobenzene

Conditions

Conditions	Yield
With chlorine; iron(III) chloride at 90℃; Product distribution; relative rates;

...Expand

: 98-95-3
nitrobenzene

A: 99-54-7
3,4-dichloronitrobenzene

B: 121-73-3
3-Chloronitrobenzene

C: 3209-22-1
1,2-Dichloro-3-nitrobenzene

D: 100-00-5
4-chlorobenzonitrile

E: 88-73-3
2-Chloronitrobenzene

F: 89-61-2
2,5-dichloronitrobenzene

Conditions

Conditions	Yield
With chlorine; iron(III) chloride at 60 - 120℃; Product distribution; Kinetics; relative rates of each steps;

...Expand

Raw Materials

10203-04-0

71-43-2

588-07-8

7705-08-0

98-95-3

610-41-3

7647-18-9

121-73-3

Downstream Products

91-39-4

121-27-7

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 1,4-Dichloro-2-nitrobenzene, with the CAS registry number 89-61-2 and EINECS registry number 201-923-3, is also called 2,5-Dichloronitrobenzene. It is a kind of yellow flakes, and belongs to the following proudct categories: Intermediates of Dyes and Pigments; Aromatic Halides (substituted); Benzene derivates. And the molecular formula of this chemical is C₆H₃Cl₂NO₂. What's more, it is used as a kind of dye intermediate, and it is also used as nitrogen adjuvant.

The physical properties of 1,4-Dichloro-2-nitrobenzene are as following: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 2.95; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.82 Å²; (9)Index of Refraction: 1.595; (10)Molar Refractivity: 42.58 cm³; (11)Molar Volume: 125.1 cm³; (12)Polarizability: 16.88×10^-24cm³; (13)Surface Tension: 50.9 dyne/cm; (14)Density: 1.533 g/cm³; (15)Flash Point: 109.4 °C; (16)Enthalpy of Vaporization: 48.47 kJ/mol; (17)Boiling Point: 267 °C at 760 mmHg; (18)Vapour Pressure: 0.0138 mmHg at 25°C.

Preparation of 1,4-Dichloro-2-nitrobenzene: It can be prepared by p-dichlorobenzene via nitration, water scrubbing, neutralization and separation.

1,4-Dichloro-2-nitrobenzene can be prepared by p-dichlorobenzene

You should be cautious while dealing with this chemical. It irritates eyes, and it is also harmful if swallowed. What's more, it is very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. Therefore, you had better take the following instructions: This material and/or its container must be disposed of as hazardous waste, 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: O=[N+]([O-])c1cc(Cl)ccc1Cl
(2)InChI: InChI=1/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
(3)InChIKey: RZKKOBGFCAHLCZ-UHFFFAOYAY

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
guinea pig	LD50	oral	800mg/kg (800mg/kg)	National Technical Information Service. Vol. OTS0536149,
mouse	LD50	oral	2850mg/kg (2850mg/kg)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(8), Pg. 50, 1981.
rat	LD50	oral	1gm/kg (1000mg/kg)	Zhonghua Yufangyixue Zazhi. Chinese Journal of Preventive Medicine. Vol. 21, Pg. 315, 1987.