CAS No.89-64-5,4-CHLORO-2-NITROPHENOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	89-64-5
Name:	4-CHLORO-2-NITROPHENOL
Article Data:	138

Formula:	C₆H₄ClNO₃
Molecular Weight:	173.556
Synonyms:	2-Nitro-4-chlorophenol;4-Chloro-2-nitrophenol;4-Chloro-6-nitrophenol;5-Chloro-2-hydroxynitrobenzene;NSC 520345;p-Chloro-o-nitrophenol;4- Chloro -2- Nitrophenol;
EINECS:	201-927-5
Density:	1.554 g/cm³
Melting Point:	85-87 °C
Boiling Point:	242.5 °C at 760 mmHg
Flash Point:	100.4 °C
Solubility:	insoluble in water
Appearance:	yellow powder
Hazard Symbols:	Xi,Xn
Risk Codes:	36/37/38-20/21/22
Safety:	26-36-36/37/39
Transport Information:	UN 2811
PSA:	66.05000
LogP:	2.47700

Synthetic route

: 106-48-9
4-chloro-phenol

: 89-64-5
p-chloro-o-nitrophenol

Conditions

Conditions	Yield
With dinitrogen tetraoxide; ferric nitrate In acetone Ambient temperature;	99%
With trichloroisocyanuric acid; silica gel; sodium nitrite In dichloromethane at 20℃; for 0.25h;	99%
With 1,3,5-tribromo-1,3,5-triazinane-2,4,6-trione; silica gel; sodium nitrite In dichloromethane at 20℃; for 0.25h;	99%

: 623-12-1
4-chloromethoxybenzene

A: 89-21-4
4-chloro-2-nitroanisole

B: 89-64-5
p-chloro-o-nitrophenol

Conditions

Conditions	Yield
With nitric acid In sulfuric acid at 25℃;	A 98.9% B 0.6%

: 33696-00-3
4-bromo-1-methoxy-2-nitrobenzene

A: 7693-52-9
4-bromo-2-nitrophenol

B: 89-64-5
p-chloro-o-nitrophenol

Conditions

Conditions	Yield
With lithium chloride In N,N-dimethyl-formamide for 4h; Heating;	A 95% B n/a

: 88-75-5
2-hydroxynitrobenzene

: 89-64-5
p-chloro-o-nitrophenol

Conditions

Conditions	Yield
With sodium periodate; sulfuric acid; sodium dodecyl-sulfate; acetic acid; sodium chloride In water at 25℃; for 2h;	85%
Stage #1: 2-hydroxynitrobenzene In acetonitrile at 80℃; for 0.166667h; Stage #2: With N-chloro-succinimide In acetonitrile at 80℃; for 8h; regioselective reaction;	80%
beim Chlorieren;

: 623-12-1
4-chloromethoxybenzene

A: 89-21-4
4-chloro-2-nitroanisole

B: 89-64-5
p-chloro-o-nitrophenol

C: 106-48-9
4-chloro-phenol

Conditions

Conditions	Yield
With nitric acid In sulfuric acid at 25℃; Rate constant; Product distribution; various acid concentrations, molar ratios;	A 83.4% B 17.5% C 5.4%
With nitric acid In sulfuric acid at 25℃;	A 65.4% B 28% C 9.2%

...Expand

: 106-48-9
4-chloro-phenol

A: 89-64-5
p-chloro-o-nitrophenol

B: 123871-57-8
4-chloro-4-nitrocyclohexa-2,5-dienone

Conditions

Conditions	Yield
With nitric acid In chloroform at -60℃; for 0.25h; Title compound not separated from byproducts;	A 20% B 80%
With nitric acid; trifluoroacetic anhydride In diethyl ether at -78℃; for 1.5h;	A 66% B 9%

: 121-73-3
3-Chloronitrobenzene

A: 619-08-9
2-chloro-4-nitrophenol

B: 89-64-5
p-chloro-o-nitrophenol

C: 603-86-1
2-chloro-6-nitrophenol

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; potassium tert-butylate; ammonia In tetrahydrofuran for 0.25h;	A 79% B 1% C 3%
With potassium hydroxide; oxygen In ammonia at -35 - -33℃; for 5h; Product distribution; Mechanism;	A .66 g B n/a C n/a
With Cumene hydroperoxide; potassium tert-butylate In ammonia at -33℃; for 0.25h; Yield given. Yields of byproduct given;

...Expand

: 540-80-7
tert.-butylnitrite

: 106-48-9
4-chloro-phenol

: 89-64-5
p-chloro-o-nitrophenol

Conditions

Conditions	Yield
With water In tetrahydrofuran at 25℃; for 2.5h; Schlenk technique;	62%

: 92044-52-5
1-(benzyloxy)-4-chloro-2-nitrobenzene

A: 1019-90-5
5-chloro-2-phenyl-1,3-benzoxazole

B: 89-64-5
p-chloro-o-nitrophenol

C: 37593-94-5
4-chloro-2-nitrophenyl benzoate

D: 3743-12-2
N-(4-chloro-2-hydroxyphenyl)benzamide

Conditions

Conditions	Yield
In isopropyl alcohol for 10h; Irradiation;	A 3% B 2% C 2% D 50%
In isopropyl alcohol for 10h; Product distribution; Mechanism; Irradiation;	A 3% B 3% C 2% D 50%

...Expand

: 93099-44-6
4-chloro-2-nitrophenyl 4-methylbenzylether

A: 89-64-5
p-chloro-o-nitrophenol

B: N-(4-methylbenzoyl)-2-amino-4-chloro-phenol

C: 16715-75-6
2-(4-methylphenyl)-5-chlorobenzoxazole

Conditions

Conditions	Yield
In isopropyl alcohol for 11h; Irradiation;	A 3% B 41% C 4%
In isopropyl alcohol for 11h; Product distribution; Mechanism; Irradiation;	A 3% B 41% C 4%

...Expand

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Specification

The IUPAC name of Phenol,4-chloro-2-nitro- is 4-chloro-2-nitrophenol. With the CAS registry number 89-64-5, it is also named as 2-Nitro-4-chlorophenol. The product's categories are Intermediates of Dyes and Pigments; Aromatic Phenols; Phenoles and Thiophenoles; Organic Building Blocks; Oxygen Compounds; Phenols. Besides, it is yellow powder, which is insoluble in water. In addition, its molecular formula is C₆H₄ClNO₃ and molecular weight is 173.56.

The other characteristics of this product can be summarized as: (1)EINECS: 201-927-5; (2)ACD/LogP: 2.75; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.69; (5)ACD/LogD (pH 7.4): 1.64; (6)ACD/BCF (pH 5.5): 62.66; (7)ACD/BCF (pH 7.4): 5.62; (8)ACD/KOC (pH 5.5): 646.62; (9)ACD/KOC (pH 7.4): 57.97; (10)#H bond acceptors: 4; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 39.57 cm³; (15)Molar Volume: 111.6 cm³; (16)Surface Tension: 62.2 dyne/cm; (17)Density: 1.554 g/cm³; (18)Flash Point: 100.4 °C; (19)Melting point: 85-87 °C; (20)Enthalpy of Vaporization: 49.89 kJ/mol; (21)Boiling Point: 242.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0218 mmHg at 25 °C.

Preparation of Phenol,4-chloro-2-nitro-: this chemical can be prepared by the hydrolysis and acidification of 2,5-Dichloronitrobenzene. It also can be produced by 4-Chloro-phenol.

This reaction needs Fe(NO₃)^.1.5N₂O₄ and Acetone at ambient temperature. The yield is 99 %.

Uses of Phenol,4-chloro-2-nitro-: this chemical can be used as intermediate in organic synthesis and intermediate of dye. Furthermore, it can be used to produce 2-Amino-4-chloro-phenol.

This reaction needs Zinc, Ammonium chloride, H₂O and Ethanol for 25 min. The yield is 48 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1cc([N+]([O-])=O)c(O)cc1
(2)InChI: InChI=1/C6H4ClNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
(3)InChIKey: NWSIFTLPLKCTSX-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H4ClNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
(5)Std. InChIKey: NWSIFTLPLKCTSX-UHFFFAOYSA-N