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CAS No.: | 637-60-5 |
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Name: | 4-Methylphenylhydrazine hydrochloride |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C7H11ClN2 |
Molecular Weight: | 158.631 |
Synonyms: | Hydrazine,(4-methylphenyl)-, monohydrochloride (9CI);Hydrazine, p-tolyl-, hydrochloride(6CI,7CI);Hydrazine, p-tolyl-, monohydrochloride (8CI);(4-Methylphenyl)hydrazine monohydrochloride;4-Tolylhydrazine hydrochloride;4-Tolylhydrazinemonohydrochloride;N-(4-Methylphenyl)hydrazine hydrochloride;p-Methylphenylhydrazine hydrochloride;p-Tolylhydrazine hydrochloride; |
EINECS: | 211-295-2 |
Density: | 1.18 g/cm3 |
Melting Point: | > 200 °C (dec.)(lit.) |
Boiling Point: | 242.8 °C at 760 mmHg |
Flash Point: | 115.3 °C |
Solubility: | Soluble in water |
Appearance: | off-white to beige-brownish flaky powder |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 22-36/37/38-40 |
Safety: | 26-36-36/37/39 |
Transport Information: | UN 2811 6.1/PG 3 |
PSA: | 38.05000 |
LogP: | 2.85590 |
N-(4-methylphenyl) benzophenone hydrazone
p-tolylhydrazine hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride In ethanol; water at 20℃; for 24h; Inert atmosphere; Industrial scale; | 100% |
With hydrogenchloride In water at 20℃; | 48% |
Conditions | Yield |
---|---|
Stage #1: p-toluidine With hydrogenchloride; sodium nitrite In water for 1h; Stage #2: With sodium sulfite In water at 80℃; for 0.1h; Stage #3: With hydrogenchloride In water at 20 - 95℃; | 90% |
Stage #1: p-toluidine With hydrogenchloride; sodium nitrite In water at 0 - 5℃; Stage #2: With tin(ll) chloride In water at 5℃; | 63% |
Stage #1: p-toluidine With hydrogenchloride; sodium nitrite Stage #2: With hydrogenchloride; tin(ll) chloride |
Conditions | Yield |
---|---|
Stage #1: 4-tolyl iodide With potassium phosphate; copper(l) iodide; N,N′-bis(2,6-dimethylphenyl)oxalamide; cetyltrimethylammonim bromide In water at 80℃; for 0.25h; Schlenk technique; Inert atmosphere; Sealed tube; Stage #2: With hydrazine hydrate In water at 80℃; Inert atmosphere; Schlenk technique; Sealed tube; Stage #3: With hydrogenchloride In water pH=3 - 4; Inert atmosphere; Schlenk technique; Sealed tube; | 85% |
Multi-step reaction with 2 steps 1: bis(triphenylphosphine)nickel(II) chloride; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride; sodium t-butanolate / 1,4-dioxane / 5 h / 50 °C / Inert atmosphere 2: hydrogenchloride / water / 20 °C View Scheme |
Conditions | Yield |
---|---|
Stage #1: para-bromotoluene With potassium phosphate; copper(l) iodide; N,N′-bis(2,6-dimethylphenyl)oxalamide; cetyltrimethylammonim bromide In water at 80℃; for 0.25h; Schlenk technique; Inert atmosphere; Sealed tube; Stage #2: With hydrazine hydrate In water at 80℃; for 7h; Inert atmosphere; Schlenk technique; Sealed tube; Stage #3: With hydrogenchloride In water pH=3 - 4; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Schlenk technique; Sealed tube; | 83% |
Stage #1: para-bromotoluene With potassium phosphate; N,N'-bis(2,5-dimethylpyrrol-1-yl)oxalamide; cetyltrimethylammonim bromide; copper(I) bromide In water at 80℃; for 0.166667h; Sealed tube; Inert atmosphere; Stage #2: With hydrazine hydrate In water at 80℃; for 2h; Sealed tube; Inert atmosphere; Stage #3: With hydrogenchloride In dichloromethane; water Temperature; | 70% |
Multi-step reaction with 2 steps 1: bis(triphenylphosphine)nickel(II) chloride; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride; sodium t-butanolate / 1,4-dioxane / 5 h / 50 °C / Inert atmosphere 2: hydrogenchloride / water / 20 °C View Scheme |
Conditions | Yield |
---|---|
With hydrogenchloride In ethyl acetate at 60℃; for 0.25h; Ring cleavage; | 76% |
Conditions | Yield |
---|---|
With hydrogenchloride In water at 65℃; | 39.3% |
p-tolylhydrazine hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride |
Conditions | Yield |
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With hydrogenchloride |
Conditions | Yield |
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Multi-step reaction with 2 steps 1.1: 2-(dicyclohexylphosphino)-2'-methylbiphenyl; sodium hydroxide; palladium diacetate / tert-Amyl alcohol / Inert atmosphere; Reflux; Industrial scale 1.2: Reflux; Inert atmosphere; Industrial scale 2.1: hydrogenchloride / ethanol; water / 24 h / 20 °C / Inert atmosphere; Industrial scale View Scheme |
N-Nitroso-p-methylanilin
p-tolylhydrazine hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride; tin(ll) chloride In water at 0℃; |
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The 4-Methylphenylhydrazine hydro-chloride, with the CAS registry number 637-60-5, is also known as Hydrazine, (4-methylphenyl)-, hydrochloride (1:1). It belongs to the product categories of Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Phenylhydrazine. Its EINECS registry number is 211-295-2. This chemical's molecular formula is C7H11ClN2 and molecular weight is 158.63. Its IUPAC name is called (4-methylphenyl)hydrazine hydrochloride. This chemical is off-white to beige-brownish flaky powder which can be used as intermediate of medicine and dye. Its classification codes are Mutation data; Tumor data.
Physical properties of 4-Methylphenylhydrazine hydro-chloride: (1)ACD/LogP: 1.71; (2)ACD/LogD (pH 5.5): 1.44; (3)ACD/LogD (pH 7.4): 1.71; (4)ACD/BCF (pH 5.5): 6.26; (5)ACD/BCF (pH 7.4): 11.61; (6)ACD/KOC (pH 5.5): 108.12; (7)ACD/KOC (pH 7.4): 200.68; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Flash Point: 115.3 °C; (12)Enthalpy of Vaporization: 47.98 kJ/mol; (13)Boiling Point: 242.8 °C at 760 mmHg; (14)Vapour Pressure: 0.0333 mmHg at 25°C.
Uses of 4-Methylphenylhydrazine hydro-chloride: it can be used to produce glyoxal mono-p-tolylhydrazone. This reaction will need reagent potassium hydroxide and solvent methanol, H2O. The yield is about 77%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may cause damage to health. 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: CC1=CC=C(C=C1)NN.Cl
(2)InChI: InChI=1S/C7H10N2.ClH/c1-6-2-4-7(9-8)5-3-6;/h2-5,9H,8H2,1H3;1H
(3)InChIKey: HMHWNJGOHUYVMD-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 237mg/kg (237mg/kg) | BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: CYANOSIS SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0546022, |
rat | LD50 | oral | 262mg/kg (262mg/kg) | BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: CYANOSIS SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0546022, |