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Name	1H-Benzimidazol-2-amine,6-chloro-	EINECS	N/A
CAS No.	5418-93-9	Density	1.533 g/cm³
PSA	54.70000	LogP	2.37970
Solubility	N/A	Melting Point	167-168 °C
Formula	C₇H₆ClN₃	Boiling Point	402.5 °C at 760 mmHg
Molecular Weight	167.598	Flash Point	197.3 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	1H-Benzimidazol-2-amine,5-chloro- (9CI);Benzimidazole, 2-amino-5(or 6)-chloro- (7CI);Benzimidazole,2-amino-5-chloro- (8CI);2-Amino-5-chloro-1H-benzimidazole;2-Amino-5-chlorobenzimidazole;2-Amino-6-chlorobenzimidazole;5-Chloro-2-aminobenzimidazole;5-Chloro-2-benzimidazolamine;5-Chlorobenzoimidazol-2-ylamine;NSC 10545;	Article Data	22

1H-Benzimidazol-2-amine,6-chloro- Synthetic route

: 1184-90-3
aminoiminomethanesulfonic acid

: 95-83-0
4-Chloro-1,2-phenylenediamine

: 5418-93-9
5-chloro-1H-benzo[d]imidazol-2-amine

Conditions

Conditions	Yield
at 60℃;	97%

: 506-68-3
bromocyane

: 95-83-0
4-Chloro-1,2-phenylenediamine

: 5418-93-9
5-chloro-1H-benzo[d]imidazol-2-amine

Conditions

Conditions	Yield
In ethanol; water at 70℃; for 1h;	87%
In methanol; water at 50℃; for 1h;	82%
With water

: 934-32-7
1H-benzimidazol-2-amine

: 5418-93-9
5-chloro-1H-benzo[d]imidazol-2-amine

Conditions

Conditions	Yield
With hydrogenchloride; dihydrogen peroxide In water at 20℃; for 1.5h;	72%
With hydrogenchloride; dihydrogen peroxide In water at 20℃; for 1.5h;	72%
With hydrogenchloride; water; dihydrogen peroxide

: 506-68-3
bromocyane

: 95-83-0
4-Chloro-1,2-phenylenediamine

A: 5418-93-9
5-chloro-1H-benzo[d]imidazol-2-amine

B: 5418-93-9
6-chloro-1H-benzoimidazol-2-amine

Conditions

Conditions	Yield
In methanol; water at 60℃; for 3h; Sealed tube;

: 1635-61-6
5-chloro-2-nitroaniline

: 5418-93-9
5-chloro-1H-benzo[d]imidazol-2-amine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tin(ll) chloride / ethyl acetate; ethanol / 16 h / 80 °C 2: 70 °C View Scheme

: 89-63-4
4-Chloro-2-nitroaniline

: 5418-93-9
5-chloro-1H-benzo[d]imidazol-2-amine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: iron; ammonium chloride / ethanol; water / 1 h / 90 °C 2: 70 °C View Scheme

: 5418-93-9
5-chloro-1H-benzo[d]imidazol-2-amine

Polymer, oxidized, degree of functionalization: -CHO 2.607 mmole/g, -CH2Cl 0.258 mmole/g; Monomer(s): chloromethylated styrene 93 percent; divinylbenzene 7 percent: Polymer, oxidized, degree of functionalization: -CHO 2.607 mmole/g, -CH2Cl 0.258 mmole/g; Monomer(s): chloromethylated styrene 93 percent; divinylbenzene 7 percent

Polymer, oxidized, grafted by 2-amino-5(6)-chlorobenzimidazole, degree of functionalization: -CH=N-Het 1,661 mmol/g, -CHO 0.300 mmole/g, -CH2Cl 0.195 mmole/g; Monomer(s): chloromethylated styrene 93 percent; divinylbenzene 7 percent: Polymer, oxidized, grafted by 2-amino-5(6)-chlorobenzimidazole, degree of functionalization: -CH=N-Het 1,661 mmol/g, -CHO 0.300 mmole/g, -CH2Cl 0.195 mmole/g; Monomer(s): chloromethylated styrene 93 percent; divinylbenzene 7 percent

Conditions

Conditions	Yield
condensation;	84.76%

: 5418-93-9
5-chloro-1H-benzo[d]imidazol-2-amine

: 219635-54-8
3β-acetoxy-16-formyl-17-acetamido-androst-5,16-diene

: 3β-acetoxy-6'-chloroandrost[16,17-e]benzimidazolo[1’,2’-a]pyrimidin-5-ene

Conditions

Conditions	Yield
With copper(l) iodide In N,N-dimethyl-formamide at 110℃; for 5h; Inert atmosphere;	82%

: 100-48-1
pyridine-4-carbonitrile

: 683-08-9
Diethyl methylphosphonate

: 5418-93-9
5-chloro-1H-benzo[d]imidazol-2-amine

: 446-52-6
2-Fluorobenzaldehyde

: 7-chloro-2-(2-fluoro-phenyl)-4-pyridin-4-yl-benzo[4,5]imidazo[1,2-a]pyrimidine

Conditions

Conditions	Yield
Stage #1: pyridine-4-carbonitrile; Diethyl methylphosphonate With n-butyllithium In tetrahydrofuran; hexane at -78 - -50℃; for 0.5h; Stage #2: 2-Fluorobenzaldehyde In tetrahydrofuran; hexane at -50 - 0℃; for 0.75h; Stage #3: 5-chloro-1H-benzo[d]imidazol-2-amine In tetrahydrofuran; N,N-dimethyl-formamide for 8h; Heating;	76%

: 5418-93-9
5-chloro-1H-benzo[d]imidazol-2-amine

: 624-83-9
methyl isocyanate

: 84388-89-6
2-Amino-5-chloro-benzoimidazole-1-carboxylic acid methylamide

Conditions

Conditions	Yield
In acetone at -30℃; for 4h;	70%

1H-Benzimidazol-2-amine,6-chloro- Specification

The 1H-Benzimidazol-2-amine,6-chloro-, with the CAS registry number 5418-93-9, is also known as 2-Amino-6-chlorobenzimidazole. It belongs to the product categories of Benzimidazole; Pharmacetical; Imidazol & Benzimidazole. This chemical's molecular formula is C₇H₆ClN₃ and molecular weight is 167.6. Its IUPAC name is called 6-chloro-1H-benzimidazol-2-amine.

Physical properties of 1H-Benzimidazol-2-amine,6-chloro-: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 1.52; (6)ACD/BCF (pH 7.4): 13.95; (7)ACD/KOC (pH 5.5): 24.19; (8)ACD/KOC (pH 7.4): 222.03; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)Index of Refraction: 1.777; (12)Molar Refractivity: 45.75 cm³; (13)Molar Volume: 109.3 cm³; (14)Surface Tension: 79.6 dyne/cm; (15)Density: 1.533 g/cm³; (16)Flash Point: 197.3 °C; (17)Enthalpy of Vaporization: 65.37 kJ/mol; (18)Boiling Point: 402.5 °C at 760 mmHg; (19)Vapour Pressure: 1.09E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1Cl)NC(=N2)N
(2)InChI: InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
(3)InChIKey: PDOCNPCPPLPXRV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	112mg/kg (112mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12521,

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