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| CAS No.: | 636-95-3 |
|---|---|
| Name: | 3-Nitrophenylhydrazine hydrochloride |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H7N3O2.HCl |
| Molecular Weight: | 189.601 |
| Synonyms: | Hydrazine,(3-nitrophenyl)-, monohydrochloride (9CI);Hydrazine, (m-nitrophenyl)-,hydrochloride (6CI,7CI,8CI);m-Nitrophenylhydrazine hydrochloride; |
| EINECS: | 211-270-6 |
| Density: | 1.419 g/cm3 |
| Melting Point: | 210 °C (dec.)(lit.) |
| Boiling Point: | 317.5 °C at 760 mmHg |
| Flash Point: | 145.8 °C |
| Appearance: | yellow crystalline powder |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-37/39-36 |
| PSA: | 83.87000 |
| LogP: | 2.97890 |
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Specification
The Hydrazine,(3-nitrophenyl)-, hydrochloride (1:1), with the CAS registry number 636-95-3, is also known as 3-Nitrophenylhydrazinium(1+) chloride. It belongs to the product categories of Hydrazines; Nitrogen Compounds; Organic Building Blocks. Its EINECS registry number is 211-270-6. This chemical's molecular formula is C6H7N3O2.HCl and molecular weight is 189.60. Its IUPAC name is called (3-nitrophenyl)hydrazine hydrochloride. This chemical is yellow crystalline powder.
Physical properties of Hydrazine,(3-nitrophenyl)-, hydrochloride (1:1): (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 9.63; (6)ACD/BCF (pH 7.4): 10.32; (7)ACD/KOC (pH 5.5): 172.51; (8)ACD/KOC (pH 7.4): 184.99; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.691; (13)Molar Refractivity: 41.31 cm3; (14)Molar Volume: 107.9 cm3; (15)Surface Tension: 68.9 dyne/cm; (16)Density: 1.419 g/cm3; (17)Flash Point: 145.8 °C; (18)Enthalpy of Vaporization: 55.89 kJ/mol; (19)Boiling Point: 317.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000384 mmHg at 25°C.
Uses of Hydrazine,(3-nitrophenyl)-, hydrochloride (1:1): it can be used to produce N-(3-nitro-phenyl)-N'-trityl-hydrazine. This reaction will need reagent pyridine with reaction time of 3 hours. The yield is about 79%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. In addition, 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NN.Cl
(2)InChI: InChI=1S/C6H7N3O2.ClH/c7-8-5-2-1-3-6(4-5)9(10)11;/h1-4,8H,7H2;1H
(3)InChIKey: BKOYKMLGFFASBG-UHFFFAOYSA-N