CAS No.118353-04-1,4-Chloro-5-(2,3-dichlorophenoxy)-2-nitroaniline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	118353-04-1
Name:	4-Chloro-5-(2,3-dichlorophenoxy)-2-nitroaniline
Article Data:	4

Formula:	C₁₂H₇Cl₃N₂O₃
Molecular Weight:	333.558
Synonyms:	5-Amino-2',2,3-trichloro-4'-nitrodiphenyl ether;
Density:	1.588 g/cm³
Melting Point:	149-150 °C(Solv: benzene (71-43-2); ethanol (64-17-5))
Boiling Point:	417.123 °C at 760 mmHg
Flash Point:	206.069 °C
PSA:	81.07000
LogP:	6.03390

Synthetic route

: 576-24-9
2,3-dichlorophenol

: 6641-64-1
4,5-dichloro-2-nitroaniline

: 118353-04-1
4-chloro-5-(2,3-dichlorophenoxy)-2-nitroaniline

Conditions

Conditions	Yield
With potassium carbonate In water; N,N-dimethyl-formamide at 125℃; for 3h;	70%

: 95-14-7
1,2,3-Benzotriazole

: 139368-74-4
3-N-(methanesulfonyl)-5-chloro-6-(2,3dichlorophenoxy)-benzotriazole

: 124-63-0
methanesulfonyl chloride

: 118353-04-1
4-chloro-5-(2,3-dichlorophenoxy)-2-nitroaniline

Conditions

Conditions	Yield
With triethylamine In N-methyl-acetamide; water

...Expand

: 576-24-9
2,3-dichlorophenol

: 118353-04-1
4-chloro-5-(2,3-dichlorophenoxy)-2-nitroaniline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 12 h / 90 °C / Industry scale 2: sodium hydroxide; water / methanol / 4 h / 50 °C / Industry scale View Scheme

: 5462-30-6
N-(4,5-dichloro-2-nitrophenyl)acetamide

: 118353-04-1
4-chloro-5-(2,3-dichlorophenoxy)-2-nitroaniline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 12 h / 90 °C / Industry scale 2: sodium hydroxide; water / methanol / 4 h / 50 °C / Industry scale View Scheme

: 4-chloro-5-(2,3-dichlorophenoxy)-2-nitrophenyl acetamide

: 118353-04-1
4-chloro-5-(2,3-dichlorophenoxy)-2-nitroaniline

Conditions

Conditions	Yield
With water; sodium hydroxide In methanol at 50℃; for 4h; Industry scale;

: 576-24-9
2,3-dichlorophenol

: 5462-30-6
N-(4,5-dichloro-2-nitrophenyl)acetamide

: 118353-04-1
4-chloro-5-(2,3-dichlorophenoxy)-2-nitroaniline

Conditions

Conditions	Yield
Stage #1: 2,3-dichlorophenol; N-(4,5-dichloro-2-nitrophenyl)acetamide With potassium carbonate In N,N-dimethyl-formamide at 20 - 90℃; for 12h; Large scale; Stage #2: With sodium hydroxide In methanol; water; N,N-dimethyl-formamide at 50℃; for 4h; Large scale;	2 kg

: 75-15-0
carbon disulfide

: 118353-04-1
4-chloro-5-(2,3-dichlorophenoxy)-2-nitroaniline

: 68828-69-3
5-chloro-6-(2,3-dichlorophenoxy)-2,3-dihydro-1H-1,3-benzodiazole-2-thione

Conditions

Conditions	Yield
Stage #1: 4-chloro-5-(2,3-dichlorophenoxy)-2-nitroaniline With trichlorosilane; triethylamine In dichloromethane at 0 - 20℃; for 12h; Inert atmosphere; Stage #2: carbon disulfide With potassium hydroxide In ethanol at 85℃; for 15.5h;	72%

: 118353-04-1
4-chloro-5-(2,3-dichlorophenoxy)-2-nitroaniline

: 139369-42-9
4-chloro-5-(2,3-dichlorophenoxy)-1,2-phenylenediamine

Conditions

Conditions	Yield
With hydrogen In ethanol at 25℃;
With hydrogen; sodium hydroxide; Raney nickel In methanol at 100℃; for 12h; Industry scale;
With hydrogen; sodium hydroxide In methanol at 100℃; for 12h; Inert atmosphere;	810 g

: 118353-04-1
4-chloro-5-(2,3-dichlorophenoxy)-2-nitroaniline

: 68786-66-3
6-chloro-5-(2,3-dichlorophenoxy)-2-(methylthio)-1H-benzo[d]imidazole

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: hydrogen; sodium hydroxide / Raney nickel / methanol / 12 h / 100 °C / Industry scale 2.1: sodium hydroxide / methanol / 6 h / Reflux; Industry scale 2.2: 4 h / 60 - 90 °C / Industry scale 3.1: sodium carbonate / water; methanol / 2 h / 60 °C View Scheme
Multi-step reaction with 5 steps 1.1: hydrogen; sodium hydroxide / Raney nickel / methanol / 12 h / 100 °C / Industry scale 2.1: sodium hydroxide / methanol / 6 h / Reflux; Industry scale 2.2: 4 h / 60 - 90 °C / Industry scale 3.1: methanol / 6 h / 40 - 65 °C / Industry scale 4.1: hydrogenchloride / water; methanol / 1 h / 20 °C 5.1: ammonia / water View Scheme

: 118353-04-1
4-chloro-5-(2,3-dichlorophenoxy)-2-nitroaniline

: 68828-69-3
6-chloro-5-(2,3-dichlorophenoxy)-1H-benzimidazole-2-thiol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: hydrogen; sodium hydroxide / Raney nickel / methanol / 12 h / 100 °C / Industry scale 2.1: sodium hydroxide / methanol / 6 h / Reflux; Industry scale 2.2: 4 h / 60 - 90 °C / Industry scale View Scheme
Multi-step reaction with 2 steps 1.1: sodium hydroxide; hydrogen / methanol / 12 h / 100 °C / Inert atmosphere 2.1: methanol / 6 h / Reflux 2.2: 4 h / 60 - 90 °C View Scheme

Raw Materials

95-14-7

576-24-9

124-63-0

Downstream Products

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Specification

The Benzenamine,4-chloro-5-(2,3-dichlorophenoxy)-2-nitro-, with CAS registry number 118353-04-1, belongs to the following product category: API intermediates. It has the systematic name of 4-chloro-5-(2,3-dichlorophenoxy)-2-nitroaniline. And the chemical formula of this chemical is C₁₂H₇Cl₃N₂O₃.

Physical properties of Benzenamine,4-chloro-5-(2,3-dichlorophenoxy)-2-nitro-: (1)ACD/LogP: 5.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.19; (4)ACD/LogD (pH 7.4): 5.19; (5)ACD/BCF (pH 5.5): 5147.51; (6)ACD/BCF (pH 7.4): 5147.51; (7)ACD/KOC (pH 5.5): 15788.97; (8)ACD/KOC (pH 7.4): 15788.97; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 81.07 Å²; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 78.16 cm³; (15)Molar Volume: 209.9 cm³; (16)Polarizability: 30.98×10^-24cm³; (17)Surface Tension: 61.1 dyne/cm; (18)Density: 1.588 g/cm³; (19)Flash Point: 206.1 °C; (20)Enthalpy of Vaporization: 67.05 kJ/mol; (21)Boiling Point: 417.1 °C at 760 mmHg; (22)Vapour Pressure: 3.63E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c(Oc1cc(N)c(cc1Cl)[N+]([O-])=O)cccc2Cl
(2)InChI: InChI=1/C12H7Cl3N2O3/c13-6-2-1-3-10(12(6)15)20-11-5-8(16)9(17(18)19)4-7(11)14/h1-5H,16H2
(3)InChIKey: WZFITXMPNXRORE-UHFFFAOYAE