CAS No.61702-43-0,2-AMINO-4-NITROPHENOL SODIUM SALT Suppliers

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Basic Information

Molecular Structure:
CAS No.:	61702-43-0
Name:	2-AMINO-4-NITROPHENOL SODIUM SALT

Formula:	C₆H₅N₂NaO₃
Molecular Weight:	177.11
Synonyms:	Phenol,2-amino-4-nitro-, monosodium salt (9CI);Phenol, 2-amino-4-nitro-, sodiumderiv. (6CI);sodium 2-amino-4-nitrophenolate;Sodium 2-amino-4-nitrophenoxide;Sodium 2-amino-4-nitrophenolate;phenol, 2-amino-4-nitro-, sodium salt (1:1);4-Nitro-2-aminophenol, sodium salt;
EINECS:	262-914-8
Melting Point:	80-90℃
Boiling Point:	368.1 °C at 760 mmHg
Flash Point:	176.4 °C
PSA:	94.90000
LogP:	2.42520

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

Content (%) = 70
Insoluble matter in water ( % )= 0.5

Specification

The CAS registry number of 2-Amino-4-nitrophenol sodium salt is 61702-43-0. The IUPAC name is sodium 2-amino-4-nitrophenolate. Its EINECS registry number is 262-914-8. In addition, the molecular formula is C₆H₅N₂NaO₃ and the molecular weight is 177.11. It belongs to the classes of Intermediates of Dyes and Pigments.

Physical properties about this chemical are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 4.8; (6)ACD/BCF (pH 7.4): 1.01; (7)ACD/KOC (pH 5.5): 105.13; (8)ACD/KOC (pH 7.4): 22.13; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 69.29 Å²; (13)Flash Point: 176.4 °C; (14)Enthalpy of Vaporization: 63.88 kJ/mol; (15)Boiling Point: 368.1 °C at 760 mmHg; (16)Vapour Pressure: 6.17E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]c1ccc([N+]([O-])=O)cc1N
(2)InChI: InChI=1/C6H6N2O3.Na/c7-5-3-4(8(10)11)1-2-6(5)9;/h1-3,9H,7H2;/q;+1/p-1
(3)InChIKey: QROXVHUAKDVYQE-REWHXWOFAB

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LDLo	intraperitoneal	500mg/kg (500mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 20, 1935.
pigeon	LDLo	intraperitoneal	95mg/kg (95mg/kg)	BEHAVIORAL: REGIDITY LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 20, 1935.