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| CAS No.: | 6358-09-4 |
|---|---|
| Name: | 2-Amino-6-chloro-4-nitrophenol |
| Molecular Structure: | |
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| Formula: | C6H5ClN2O3 |
| Molecular Weight: | 188.57 |
| Synonyms: | 2-Amino-6-chloro-4-nitrophenol;3-Chloro-2-hydroxy-5-nitroaniline;4-Nitro-6-chloro-2-aminophenol;6-Chloro-4-nitro-2-aminophenol;Rodol 9R Base;2-Amino-4-nitro-6-chlorophenol; |
| EINECS: | 228-762-1 |
| Density: | 1.655 g/cm3 |
| Melting Point: | 158-162.5 °C |
| Boiling Point: | 358.7 °C at 760 mmHg |
| Flash Point: | 170.8 °C |
| Solubility: | 450mg/L at 25℃ |
| Appearance: | Dull yellow to brown powder |
| Hazard Symbols: |
 Xi
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| PSA: | 92.07000 |
| LogP: | 2.64040 |
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Specification
The Phenol,2-amino-6-chloro-4-nitro-, with the CAS registry number 6358-09-4, is also known as 6-Chloro-4-nitro-2-aminophenol. It belongs to the product category of Intermediates of Dyes and Pigments. Its EINECS registry number is 228-762-1. This chemical's molecular formula is C6H5ClN2O3 and molecular weight is 188.57. Its IUPAC name is called 2-amino-6-chloro-4-nitrophenol. This chemical is dull yellow to brown powder. When you are using this chemical, please be cautious about it, it may cause inflammation to the skin or other mucous membranes.
Physical properties of Phenol,2-amino-6-chloro-4-nitro-: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 0.09; (5)ACD/BCF (pH 5.5): 9.84; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 135.57; (8)ACD/KOC (pH 7.4): 3.02; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.695; (13)Molar Refractivity: 43.81 cm3; (14)Molar Volume: 113.9 cm3; (15)Surface Tension: 78.8 dyne/cm; (16)Density: 1.655 g/cm3; (17)Flash Point: 170.8 °C; (18)Enthalpy of Vaporization: 62.81 kJ/mol; (19)Boiling Point: 358.7 °C at 760 mmHg; (20)Vapour Pressure: 1.21E-05 mmHg at 25°C.
Uses of Phenol,2-amino-6-chloro-4-nitro-: it can be used to produce 5-(7-chloro-5-nitro-benzooxazol-2-yl)-[1,3,4]thiadiazole-2-carboxylic acid methyl ester at temperature of 100 °C. This reaction will need solvent acetic acid with reaction time of 3 hours. The yield is about 66%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1Cl)O)N)[N+](=O)[O-]
(2)InChI: InChI=1S/C6H5ClN2O3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H,8H2
(3)InChIKey: TWLMSPNQBKSXOP-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD | oral | > 400mg/kg (400mg/kg) | KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION | International Journal of Toxicology. Vol. 16(Suppl, |