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