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N-Benzyl-N-phenylhydrazine hydrochloride

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Name

N-Benzyl-N-phenylhydrazine hydrochloride

EINECS 227-195-7
CAS No. 5705-15-7 Density 1.13 g/cm3
PSA 29.26000 LogP 4.06920
Solubility N/A Melting Point 178-181°C
Formula C13H14N2.HCl Boiling Point 346.6 °C at 760 mmHg
Molecular Weight 234.728 Flash Point 186.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5705-15-7 (1-BENZYL-1-PHENYLHYDRAZINE HYDROCHLORIDE) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
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;

 

N-Benzyl-N-phenylhydrazine hydrochloride Synthetic route

C13H17NO2

5705-15-7

N-benzyl-N-phenylhydrazine hydrochloride

C26H26N2O

Conditions
ConditionsYield
With pyridine; pyridine hydrochloride at 100℃; for 23h; Inert atmosphere;98%
1254982-53-0

C14H17NO2

5705-15-7

N-benzyl-N-phenylhydrazine hydrochloride

1254982-27-8

5-(1-benzyl-1H-indol-3-yl)-2-(benzyloxy)pentanenitrile

Conditions
ConditionsYield
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

C24H21NO

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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

1-(2-tetrahydrothiopyranylthio)-3-(1-benzyl-3-indolyl)propane

Conditions
ConditionsYield
With water In 1,4-dioxane for 4h; Heating;79%
53526-25-3

hexyl 6-methoxy-2-naphthyl ketone

5705-15-7

N-benzyl-N-phenylhydrazine hydrochloride

481631-58-7

1-benzyl-2-(6-methoxynaphthalen-2-yl)-3-pentyl-1H-indole

Conditions
ConditionsYield
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

9-Benzyl-4,9-dihydro-3H-thiopyrano[3,4-b]indol-1-one

Conditions
ConditionsYield
With trifluoroacetic acid In 1,4-dioxane for 8h; Heating;77%
6461-87-6

2-formyltetramethylene Sulfone

5705-15-7

N-benzyl-N-phenylhydrazine hydrochloride

2-formyltetramethylene sulfone 1-benzyl-1-phenylhydrazone

Conditions
ConditionsYield
With hydrogenchloride In water; isopropyl alcohol for 3h; Reflux;76%
With hydrogenchloride In water; isopropyl alcohol for 3h; Reflux;76%

N-Benzyl-N-phenylhydrazine hydrochloride 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%.   

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.

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