CAS No.603-85-0,2-Amino-3-nitrophenol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	603-85-0
Name:	2-Amino-3-nitrophenol

Formula:	C₆H₆N₂O₃
Molecular Weight:	154.125
Synonyms:	2-Amino-3-hydroxynitrobenzene;2-Hydroxy-6-nitroaniline;3-Nitro-2-aminophenol;
EINECS:	210-060-1
Density:	1.511 g/cm³
Melting Point:	212-213 °C(lit.)
Boiling Point:	315.862 °C at 760 mmHg
Flash Point:	144.829 °C
Appearance:	Red-brown powder
Hazard Symbols:	Xn, Xi
Risk Codes:	36/37/38-20/21/22
Safety:	26-36
PSA:	92.07000
LogP:	1.98700

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Consensus Reports

2-Amino-3-nitrophenol is reported in EPA TSCA Inventory.

Specification

2-Amino-3-nitrophenol is an organic compound with the formula C₆H₆N₂O₃, and its systematic name is the same with the product name. With the CAS registry number 603-85-0, it is also named as 3-Nitro-2-aminophenol. It belongs to the product categories of Polymer Additives; Polymer Science; Stabilizers. Its EINECS number is 210-060-1. In addition, the molecular weight is 154.12. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place.

Physical properties of 2-Amino-3-nitrophenol are: (1)ACD/LogP: 1.643; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 10.44; (6)ACD/BCF (pH 7.4): 10.43; (7)ACD/KOC (pH 5.5): 186.60; (8)ACD/KOC (pH 7.4): 186.28; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 92.07 Å²; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 38.916 cm³; (15)Molar Volume: 101.985 cm³; (16)Polarizability: 15.428×10^-24cm³; (17)Surface Tension: 78.54 dyne/cm; (18)Density: 1.511 g/cm³; (19)Flash Point: 144.829 °C; (20)Enthalpy of Vaporization: 57.934 kJ/mol; (21)Boiling Point: 315.862 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-nitrobenzoxazole. This reaction will need reagent NaBH₄ and solvent ethanol with the reaction time of 3 hours. The yield is about 30%.

2-Amino-3-nitrophenol can be prepared by 4-nitrobenzoxazole

Uses of 2-Amino-3-nitrophenol: it can be used to produce 2-chloromethyl-4-nitro-benzooxazole at the temperature of 65 °C. It will need reagent p-TsOH·H₂O and solvent ethanol with the reaction time of 22 hours. The yield is about 69%.

2-Amino-3-nitrophenol can be used to produce 2-chloromethyl-4-nitro-benzooxazole at the temperature of 65 °C

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

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(O)c1N
(2)Std. InChI: InChI=1S/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2
(3)Std. InChIKey: KUCWUAFNGCMZDB-UHFFFAOYSA-N