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| CAS No.: | 5705-15-7 |
|---|---|
| Name: | 1-BENZYL-1-PHENYLHYDRAZINE HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C13H14N2.HCl |
| Molecular Weight: | 234.728 |
| Synonyms: | Hydrazine,1-benzyl-1-phenyl-, hydrochloride (6CI,7CI);Hydrazine, 1-benzyl-1-phenyl-,monohydrochloride (8CI);Hydrazine, 1-phenyl-1-(phenylmethyl)-,monohydrochloride (9CI);1-Benzyl-1-phenylhydrazine hydrochloride;N-Benzyl-N-phenylhydrazine hydrochloride;N-Phenyl-N-benzylhydrazinehydrochloride;a-Benzyl-a-phenylhydrazine hydrochloride;1-Benzyl-1-phenylhydrazine HCl; |
| EINECS: | 227-195-7 |
| Density: | 1.13 g/cm3 |
| Melting Point: | 178-181°C |
| Boiling Point: | 346.6 °C at 760 mmHg |
| Flash Point: | 186.3 °C |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 29.26000 |
| LogP: | 4.06920 |
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| Conditions | Yield |
|---|---|
| With pyridine; pyridine hydrochloride at 100℃; for 23h; Inert atmosphere; | 98% |
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C14H17NO2
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N-benzyl-N-phenylhydrazine hydrochloride
- 1254982-27-8
5-(1-benzyl-1H-indol-3-yl)-2-(benzyloxy)pentanenitrile
| Conditions | Yield |
|---|---|
| With acetic acid at 100℃; for 1h; Fischer indole synthesis; Inert atmosphere; | 89% |
- 65755-81-9
1-phenyl-2-(2-propenyloxy)ethanone
- 5705-15-7
N-benzyl-N-phenylhydrazine hydrochloride
| Conditions | Yield |
|---|---|
| With L-Tartaric acid at 70℃; for 4h; | 87% |
- 5705-15-7
N-benzyl-N-phenylhydrazine hydrochloride
- 89587-12-2
α-dimethylaminomethylene-N-phenyl-γ-butyrolactam
A
- 89587-10-0
2,3,4,9-Tetrahydro-2-phenyl-1H-pyrido<3,4-b>indol-1-one
B
- 89587-08-6
9-benzyl-2-phenyl-1-oxo-1,2,3,4-tetrahydro-β-carboline
| Conditions | Yield |
|---|---|
| In hydrogenchloride; isopropyl alcohol for 3h; Heating; | A 3% B 86% |
- 5705-15-7
N-benzyl-N-phenylhydrazine hydrochloride
- 89587-11-1
α-dimethylaminomethylene-γ-butyrolactam
A
- 17952-82-8
1,2,3,4-tetrahydronorharman-1-one
B
- 34034-29-2
9-benzyl-2,3,4,9-tetrahydro-1H-β-carbolin-1-one
| Conditions | Yield |
|---|---|
| With hydrogenchloride In isopropyl alcohol for 3h; Heating; | A 5% B 82% |
- 5705-15-7
N-benzyl-N-phenylhydrazine hydrochloride
- 59157-01-6
3-<(N,N-dimethylamino)methylene>-1-methyl-2-pyrrolidinone
A
- 59156-98-8
Strychnocarpine
B
- 59156-99-9
2,3,4,9-Tetrahydro-2-methyl-9-(phenylmethyl)-1H-pyrido<3,4-b>indol-1-one
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water; isopropyl alcohol for 3h; Heating; | A n/a B 80% |
- 13042-80-3
3,4-dihydro-2H-thiopyran
- 5705-15-7
N-benzyl-N-phenylhydrazine hydrochloride
- 128083-15-8
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| Conditions | Yield |
|---|---|
| With water In 1,4-dioxane for 4h; Heating; | 79% |
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hexyl 6-methoxy-2-naphthyl ketone
- 5705-15-7
N-benzyl-N-phenylhydrazine hydrochloride
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1-benzyl-2-(6-methoxynaphthalen-2-yl)-3-pentyl-1H-indole
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol; water at 70 - 80℃; for 7h; Fischer Indole Synthesis; Heating / reflux; | 78% |
- 5705-15-7
N-benzyl-N-phenylhydrazine hydrochloride
- 180403-47-8
3-[1-Dimethylamino-meth-(Z)-ylidene]-dihydro-thiophen-2-one
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid In 1,4-dioxane for 8h; Heating; | 77% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water; isopropyl alcohol for 3h; Reflux; | 76% |
| With hydrogenchloride In water; isopropyl alcohol for 3h; Reflux; | 76% |
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Specification
The N-Benzyl-N-phenylhydrazine hydrochloride, with the CAS registry number 5705-15-7 and EINECS registry number 227-195-7, has the systematic name of 1-benzyl-1-phenylhydrazine hydrochloride (1:1). And the molecular formula of the chemical is C13H14N2.HCl.
The characteristics of N-Benzyl-N-phenylhydrazine hydrochloride are as followings: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 34.44; (6)ACD/BCF (pH 7.4): 58.44; (7)ACD/KOC (pH 5.5): 376.3; (8)ACD/KOC (pH 7.4): 638.41; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å2; (13)Flash Point: 186.3 °C; (14)Enthalpy of Vaporization: 59.08 kJ/mol; (15)Boiling Point: 346.6 °C at 760 mmHg; (16)Vapour Pressure: 5.7E-05 mmHg at 25°C.
Uses of N-Benzyl-N-phenylhydrazine hydrochloride: It can be used to produce 1-(2-tetrahydrothiopyranylthio)-3-(1-benzyl-3-indolyl)propane. This reaction will need reagent H2O, and the menstruum dioxane. The reaction time is 4 hours with heating, and the yield is about 79%.
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You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.NN(c1ccccc1)Cc2ccccc2
(2)InChI: InChI=1/C13H14N2.ClH/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;/h1-10H,11,14H2;1H
(3)InChIKey: JTYLHYOCBGPMNO-UHFFFAOYAE
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 300mg/kg (300mg/kg) | National Technical Information Service. Vol. AD277-689, | |
| mouse | LD50 | intravenous | 106mg/kg (106mg/kg) | Acta Biologica et Medica Germanica. Vol. 17, Pg. 614, 1966. | |
| rat | LD50 | intraperitoneal | 404mg/kg (404mg/kg) | Acta Biologica et Medica Germanica. Vol. 18, Pg. 617, 1967. |