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| CAS No.: | 60481-36-9 |
|---|---|
| Name: | 3,5-Dimethylphenylhydrazine hydrochloride |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C8H12N2.HCl |
| Molecular Weight: | 172.658 |
| Synonyms: | Hydrazine,(3,5-dimethylphenyl)-, monohydrochloride (9CI);(3,5-Dimethylphenyl)hydrazinehydrochloride;(3,5-Dimethylphenyl)hydrazine monohydrochloride;N-(3,5-Dimethylphenyl)hydrazine hydrochloride;3,5-Dimethylphenylhydrazine hydrochloride; |
| EINECS: | 200-158-5 |
| Melting Point: | 180 °C |
| Boiling Point: | 247.3 °C at 760 mmHg |
| Flash Point: | 118.6 °C |
| Solubility: | Soluble in water. |
| Appearance: | White powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39-45 |
| PSA: | 38.05000 |
| LogP: | 3.16430 |
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Specification
The systematic name of 3,5-Dimethylphenylhydrazine hydrochloride is (3,5-dimethylphenyl)diazanium chloride. With the CAS registry number 60481-36-9, it is also named as Hydrazine,(3,5-dimethylphenyl)-, hydrochloride (1:1). The product's categories are Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Phenylhydrazine. It is white powder, which should be stored in sealed container in cool, dry and ventilated place. In addition, its molecular formula is C8H12N2.HCl and its molecular weight is 172.65.
The other characteristics of 3,5-Dimethylphenylhydrazine hydrochloride can be summarized as: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 12.24; (6)ACD/BCF (pH 7.4): 25.89; (7)ACD/KOC (pH 5.5): 168.22; (8)ACD/KOC (pH 7.4): 355.9; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 118.6 °C; (14)Melting Point: 180 °C; (15)Enthalpy of Vaporization: 48.44 kJ/mol; (16)Boiling Point: 247.3 °C at 760 mmHg; (17)Vapour Pressure: 0.0259 mmHg at 25 °C.
Uses of this product: it can react with 3-Acetyl-4-hydroxy-chromen-2-one to get 3-{1-[(3,5-Dimethyl-phenyl)-hydrazono]-ethyl}-4-hydroxy-chromen-2-one.
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This reaction needs Ethanol by heating. The yield is 40 %.
When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. And it is also irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)SMILES: [Cl-].N(c1cc(cc(c1)C)C)[NH3+]
(2)InChI: InChI=1/C8H12N2.ClH/c1-6-3-7(2)5-8(4-6)10-9;/h3-5,10H,9H2,1-2H3;1H
(3)InChIKey: RSBQANBNDXZFIY-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H12N2.ClH/c1-6-3-7(2)5-8(4-6)10-9;/h3-5,10H,9H2,1-2H3;1H
(5)Std. InChIKey: RSBQANBNDXZFIY-UHFFFAOYSA-N