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Bendazol
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Name

Bendazol

 EINECS 210-703-6
CAS No. 621-72-7 Density 1.193 g/cm3
PSA 28.68000 LogP 3.15370
Solubility N/A Melting Point 187oC
Formula C14H12N2 Boiling Point 453.5 °C at 760 mmHg
Molecular Weight 208.263 Flash Point 252.1 °C
Transport Information N/A Appearance White or almost white crystalline powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 621-72-7 (Bendazol) Hazard Symbols N/A
Synonyms

Benzimidazole,2-benzyl- (6CI,8CI);2-(Phenylmethyl)-1H-benzimidazole;2-Benzyl-1H-benzimidazole;2-Benzylbenzimidazole;Dibasol;Dibazol;Dibazole;Tromasedan;1H-Benzimidazole,2-(phenylmethyl)-;

Article Data 105

Bendazol Synthetic route

1504-26-3

N-(2-nitrophenyl)-2-phenylacetamide

621-72-7

2-benzylbenzimidazole

Conditions
ConditionsYield
With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; 10% palladium on activated carbon In acetic acid at 120℃; for 15h; Inert atmosphere;97%
With triphenylphosphine In decane at 168 - 178℃; for 12h; Inert atmosphere;64%
103-82-2

phenylacetic acid

95-54-5

1,2-diamino-benzene

621-72-7

2-benzylbenzimidazole

Conditions
ConditionsYield
Stage #1: phenylacetic acid; 1,2-diamino-benzene at 190℃; for 2h;
Stage #2: With sodium hydroxide In water at 5℃; for 24h;		96%
With hydrogenchloride In water at 100℃; for 12h;93%
With boric acid In 5,5-dimethyl-1,3-cyclohexadiene for 8h; Reflux;90%
1189540-60-0

N-(2-aminophenyl)-2-phenyl-N'-tosylacetamid amide

621-72-7

2-benzylbenzimidazole

Conditions
ConditionsYield
With sulfuric acid In methanol for 4h; Reflux;93%
86774-74-5

N-(methyl)phenylacetonitrilium triflate

95-54-5

1,2-diamino-benzene

621-72-7

2-benzylbenzimidazole

Conditions
ConditionsYield
In nitromethane at 20℃; for 0.166667h;92%
103-81-1

Benzeneacetamide

95-54-5

1,2-diamino-benzene

621-72-7

2-benzylbenzimidazole

Conditions
ConditionsYield
With hydrogenchloride In water at 150℃; for 0.666667h; Microwave irradiation;92%
122-78-1

phenylacetaldehyde

95-54-5

1,2-diamino-benzene

621-72-7

2-benzylbenzimidazole

Conditions
ConditionsYield
Stage #1: 1,2-diamino-benzene With choline chloride at 80℃; for 2h; Inert atmosphere;
Stage #2: phenylacetaldehyde at 80℃; Inert atmosphere;		91%
With oxygen; cobalt(II) hydroxide In ethanol at 20℃; for 4h;90%
With sodium hydrogensulfite In water at 100℃; for 0.333333h; Green chemistry; chemoselective reaction;90%
95-54-5

1,2-diamino-benzene

103-80-0

phenylacetyl chloride

621-72-7

2-benzylbenzimidazole

Conditions
ConditionsYield
With potassium fluoride on basic alumina; magnesium sulfate In acetonitrile at 20℃; for 1h;91%
16754-56-6

(2,2,2-triethoxyethyl)benzene

95-54-5

1,2-diamino-benzene

621-72-7

2-benzylbenzimidazole

Conditions
ConditionsYield
With o-benzenedisulfonimide In neat (no solvent) at 20 - 25℃; for 4h; Green chemistry;91%
122-78-1

phenylacetaldehyde

95-54-5

1,2-diamino-benzene

A

621-72-7

2-benzylbenzimidazole

B

381710-85-6

2-benzyl-1-phenethyl-1H-benzo[d]imidazole

Conditions
ConditionsYield
In water at 1 - 2℃; for 0.0333333h; Green chemistry;A 91%
B 9%
7118-59-4

N-phenylphenylacetamidine

621-72-7

2-benzylbenzimidazole

Conditions
ConditionsYield
With lead(IV) acetate In pyridine; dichloromethane at 80 - 90℃; for 1.5h;90%
With phenyliodine(III) diacetate; caesium carbonate In 2,2,2-trifluoroethanol at 25℃; for 1.5h;89%
Multi-step reaction with 2 steps
1: H2O; NH2OH+HCl
2: pyridine; benzene
View Scheme

Bendazol Chemical Properties


Molecular Formula: C14H12N2
Molecular Weight: 208.26g/mol
Mol File: 621-72-7.mol
Einecs: 210-703-6
Index of Refraction: 1.679
Molar Refractivity: 65.93 cm3
Molar Volume: 174.4 cm3 
Melting Point: 187 °C
Boiling point: 453.5 °C at 760 mmHg
Flash Point:  252.1 °C 
Density: 1.193 g/cm3
Surface Tension: 55.3 dyne/cm
Enthalpy of Vaporization: 68.56 kJ/mol
Vapour Pressure of Bendazol (CAS NO.621-72-7): 5.52E-08 mmHg at 25 °C
XLogP3-AA: 3.2
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of Bendazol (CAS NO.621-72-7):
IUPAC Name: 2-benzyl-1H-benzimidazole
Canonical SMILES: C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2
InChI: InChI=1S/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)  
InChIKey: YTLQFZVCLXFFRK-UHFFFAOYSA-N
Classification Code: Adjuvants, immunologic; Antihypertensive agents; Cardiovascular Agents; Central Nervous System Agents; Drug / Therapeutic Agent; Immunologic Factors; Interferon inducers; Muscle relaxants, central; Neuromuscular Agents; Peripheral Nervous System Agents; Reproductive Effect

Bendazol Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(6), Pg. 25, 1990.
mouse LD50 intravenous 64400ug/kg (64.4mg/kg)   French Demande Patent Document. Vol. #2292473,
mouse LD50 oral 100mg/kg (100mg/kg)   Farmatsevtichnii Zhurnal Vol. (1), Pg. 44, 1983.
mouse LD50 unreported 100mg/kg (100mg/kg)   Farmatsevtichnii Zhurnal Vol. (5), Pg. 26, 1983.
mouse LDLo subcutaneous 504mg/kg (504mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 829, 1979.

Bendazol Safety Profile

Poison by ingestion and intraperitoneal routes. Moderately toxic by subcutaneous route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx. 

Bendazol Specification

 Bendazol ,its CAS NO. is 621-72-7,the synonyms is 2-(Phenylmethyl)-1H-benzimidazole ; 2-Benzylbenzimidazole ; 2-Benzylbenziminazole ; Bendazolum ; Dibazole ; Tromasedan ; 1H-Benzimidazole, 2-(phenylmethyl)- (9CI) ; Benzimidazole, 2-benzyl- .

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